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OH0

OH0
Name:	N-heptanoyl-N-hydroxy-beta-alanine
Formula:	C10 H19 N O4
SMILES:	O=C(O)CCN(O)C(=O)CCCCCC
InChi:	InChI=1S/C10H19NO4/c1-2-3-4-5-6-9(12)11(15)8-7-10(13)14/h15H,2-8H2,1H3,(H,13,14)
Definition date:	2022-05-02
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	N-heptanoyl-N-hydroxy-beta-alanine

8B8

8B8
Name:	(2S)-3-(1H-indol-3-yl)-N-[[1-(5-methoxypyridin-2-yl)cyclohexyl]methyl]-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide
Formula:	C32 H36 N6 O5
SMILES:	COc1ccc(nc1)C2(CCCCC2)CNC(=O)[C](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc5ccc(cc5)[N+]([O-])=O
InChi:	InChI=1S/C32H36N6O5/c1-31(18-22-19-33-27-9-5-4-8-26(22)27,37-30(40)36-23-10-12-24(13-11-23)38(41)42)29(39)35-21-32(16-6-3-7-17-32)28-15-14-25(43-2)20-34-28/h4-5,8-15,19-20,33H,3,6-7,16-18,21H2,1-2H3,(H,35,39)(H2,36,37,40)/t31-/m0/s1
Definition date:	2021-12-01
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(2~{S})-3-(1~{H}-indol-3-yl)-~{N}-[[1-(5-methoxypyridin-2-yl)cyclohexyl]methyl]-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide

YFN

YFN
Name:	N-[(3S)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide
Formula:	C9 H15 N O3 S
SMILES:	O=S1(=O)CCC(C)(NC(=O)C2CC2)C1
InChi:	InChI=1S/C9H15NO3S/c1-9(4-5-14(12,13)6-9)10-8(11)7-2-3-7/h7H,2-6H2,1H3,(H,10,11)/t9-/m0/s1
Definition date:	2023-01-26
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	N-[(3S)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide

YG0

YG0
Name:	N-phenylcyclopropanecarboxamide
Formula:	C10 H11 N O
SMILES:	O=C(Nc1ccccc1)C1CC1
InChi:	InChI=1S/C10H11NO/c12-10(8-6-7-8)11-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,11,12)
Definition date:	2023-01-27
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	N-phenylcyclopropanecarboxamide

YHQ

YHQ
Name:	5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine
Formula:	C13 H20 N5 O7 P
SMILES:	CC(C)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C13H20N5O7P/c1-6(2)25-26(21,22)23-3-7-9(19)10(20)13(24-7)18-5-17-8-11(14)15-4-16-12(8)18/h4-7,9-10,13,19-20H,3H2,1-2H3,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1
Definition date:	2023-02-03
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine

KP9

KP9
Name:	Bilin 618 (single linked)
Formula:	C33 H36 N4 O6
SMILES:	O=C(O)CCc1c(C)c(/C=C2NC(=O)C(C)=C2CC)[NH]c1/C=C1N=C(CC2NC(=O)C(C=C)=C2C)C(C)=C1/C=C/C(=O)O
InChi:	InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8-9,11,14-15,26,35H,2,7,10,12-13H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b11-9+,27-14-,28-15-/t26-/m1/s1
Synonyms:	(1R,4S,5R)-3-(BENZO[B]THIOPHEN-2-YL)METHOXY-1,4,5-TRIHYDROXY-2-(THIEN-2-YL)METHYLCYCLOHEX-2-EN-1-CARBOXYLATE
Definition date:	2022-02-09
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(2E)-3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-2H-pyrrol-3-yl]prop-2-enoic acid

KPX

KPX
Name:	Bilin 584 (single linked)
Formula:	C33 H38 N4 O6
SMILES:	O=C(O)CCC1=C(C)C(/C=C2NC(=O)C(C)C2CC)=N/C1=Cc1[NH]c(CC2NC(=O)C(C=C)=C2C)c(C)c1/C=C/C(=O)O
InChi:	InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8-9,11,14-15,19-20,26,34H,2,7,10,12-13H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b11-9+,27-14-,29-15-/t19-,20-,26-/m1/s1
Synonyms:	(2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid
Definition date:	2022-02-09
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid

KQ6

KQ6
Name:	Bilin 584 (doubly linked)
Formula:	C33 H40 N4 O6
SMILES:	O=C(O)CCC1=C(C)C(/C=C2NC(=O)C(C)C2CC)=N/C1=Cc1[NH]c(CC2NC(=O)C(CC)=C2C)c(C)c1/C=C/C(=O)O
InChi:	InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h9,11,14-15,19-20,26,34H,7-8,10,12-13H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b11-9+,27-14-,29-15-/t19-,20-,26-/m1/s1
Synonyms:	(2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid
Definition date:	2022-02-09
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid

AX9

AX9
Name:	DiCys-(15,16)-Dihydrobiliverdin
Formula:	C33 H40 N4 O6
SMILES:	O=C(O)CCc1c(C)c(/C=C2NC(=O)C(C)=C2CC)[NH]c1/C=C1N=C(CC2NC(=O)C(CC)=C2C)C(C)=C1CCC(=O)O
InChi:	InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h14-15,26,35H,7-13H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b27-14-,28-15-/t26-/m1/s1
Synonyms:	15,16-DIHYDROBILIVERDIN (double Cys bound form)
Definition date:	2021-11-11
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{[(2R)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid

IL1

IL1
Name:	4-[[4-[[5-[[(2S)-2-[[5-[(4-cyanophenyl)carbonylamino]pyridin-2-yl]carbonylamino]-3-(1H-1,2,3-triazol-4-yl)propanoyl]amino]pyridin-2-yl]carbonylamino]-2-oxidanyl-3-propan-2-yloxy-phenyl]carbonylamino]benzoic acid
Formula:	C42 H35 N11 O9
SMILES:	CC(C)Oc1c(O)c(ccc1NC(=O)c2ccc(NC(=O)[CH](Cc3c[nH]nn3)NC(=O)c4ccc(NC(=O)c5ccc(cc5)C#N)cn4)cn2)C(=O)Nc6ccc(cc6)C(O)=O
InChi:	InChI=1S/C42H35N11O9/c1-22(2)62-36-31(16-13-30(35(36)54)38(56)47-26-9-7-25(8-10-26)42(60)61)50-39(57)32-15-12-28(20-45-32)49-41(59)34(17-29-21-46-53-52-29)51-40(58)33-14-11-27(19-44-33)48-37(55)24-5-3-23(18-43)4-6-24/h3-16,19-22,34,54H,17H2,1-2H3,(H,47,56)(H,48,55)(H,49,59)(H,50,57)(H,51,58)(H,60,61)(H,46,52,53)/t34-/m0/s1
Definition date:	2022-03-30
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	4-[[4-[[5-[[(2~{S})-2-[[5-[(4-cyanophenyl)carbonylamino]pyridin-2-yl]carbonylamino]-3-(1~{H}-1,2,3-triazol-4-yl)propanoyl]amino]pyridin-2-yl]carbonylamino]-2-oxidanyl-3-propan-2-yloxy-phenyl]carbonylamino]benzoic acid

IM0

IM0
Name:	4-[[3-(2-azanylethoxy)-2-oxidanyl-4-[[5-[[(2~{S})-2-[[4-[(6-oxidanylnaphthalen-2-yl)carbonylamino]phenyl]carbonylamino]-3-(1~{H}-1,2,3-triazol-4-yl)propanoyl]amino]pyridin-2-yl]carbonylamino]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid
Formula:	C46 H40 N10 O12
SMILES:	COc1c(O)c(ccc1NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)[CH](Cc4c[nH]nn4)NC(=O)c5ccc(NC(=O)c6ccc7cc(O)ccc7c6)cc5)cn3)c(OCCN)c2O)C(O)=O
InChi:	InChI=1S/C46H40N10O12/c1-67-39-33(15-12-32(38(39)59)46(65)66)52-43(62)31-11-14-34(40(37(31)58)68-17-16-47)53-44(63)35-13-9-28(21-48-35)51-45(64)36(20-29-22-49-56-55-29)54-41(60)23-4-7-27(8-5-23)50-42(61)26-3-2-25-19-30(57)10-6-24(25)18-26/h2-15,18-19,21-22,36,57-59H,16-17,20,47H2,1H3,(H,50,61)(H,51,64)(H,52,62)(H,53,63)(H,54,60)(H,65,66)(H,49,55,56)/t36-/m0/s1
Definition date:	2022-03-31
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	4-[[3-(2-azanylethoxy)-2-oxidanyl-4-[[5-[[(2~{S})-2-[[4-[(6-oxidanylnaphthalen-2-yl)carbonylamino]phenyl]carbonylamino]-3-(1~{H}-1,2,3-triazol-4-yl)propanoyl]amino]pyridin-2-yl]carbonylamino]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid

G34

G34
Name:	Retapamulin
Formula:	C30 H47 N O4 S
SMILES:	O=C1CCC52C1C(C)(C(C)CC2)C(OC(=O)CSC4CC3N(C)C(CC3)C4)CC(C=C)(C)C(O)C5C
InChi:	InChI=1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/t18-,19+,20-,21+,22-,24-,26+,27+,28-,29+,30+/m1/s1
Definition date:	2007-01-17
Last modified:	2023-02-07
Identifier:	(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]sulfanyl}acetate

XG0

XG0
Name:	4-[(4-chlorophenyl)methyl]-2-[(4S)-1-methylazepan-4-yl]phthalazin-1(2H)-one
Formula:	C22 H24 Cl N3 O
SMILES:	Clc1ccc(cc1)CC1=NN(C(=O)c2ccccc21)C1CCCN(C)CC1
InChi:	InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3/t18-/m0/s1
Definition date:	2022-11-15
Last modified:	2023-02-03
Release date:	2023-02-08
Identifier:	4-[(4-chlorophenyl)methyl]-2-[(4S)-1-methylazepan-4-yl]phthalazin-1(2H)-one

KR9

KR9
Name:	~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-8-[2-methoxy-5-(trifluoromethyloxy)phenyl]-1,6-naphthyridine-2-carboxamide
Formula:	C29 H24 F3 N5 O4
SMILES:	CNC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)c3ccc4cncc(c5cc(OC(F)(F)F)ccc5OC)c4n3
InChi:	InChI=1S/C29H24F3N5O4/c1-33-27(38)24(11-17-14-35-22-6-4-3-5-19(17)22)37-28(39)23-9-7-16-13-34-15-21(26(16)36-23)20-12-18(41-29(30,31)32)8-10-25(20)40-2/h3-10,12-15,24,35H,11H2,1-2H3,(H,33,38)(H,37,39)/t24-/m0/s1
Definition date:	2022-10-13
Last modified:	2023-02-03
Release date:	2023-02-08
Identifier:	~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-8-[2-methoxy-5-(trifluoromethyloxy)phenyl]-1,6-naphthyridine-2-carboxamide

P3X

P3X
Name:	(5E,17R,20S)-23-amino-20-hydroxy-14,20-dioxo-15,19,21-trioxa-20lambda~5~-phosphatricos-5-en-17-yl hexadecanoate
Formula:	C35 H68 N O8 P
SMILES:	NCCOP(O)(=O)OCC(COC(=O)CCCCCCCC=CCCCC)OC(=O)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C35H68NO8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-35(38)44-33(32-43-45(39,40)42-30-29-36)31-41-34(37)27-25-23-21-19-17-14-12-10-8-6-4-2/h10,12,33H,3-9,11,13-32,36H2,1-2H3,(H,39,40)/b12-10+/t33-/m1/s1
Definition date:	2022-12-16
Last modified:	2023-02-03
Release date:	2023-02-08
Identifier:	(5E,17R,20S)-23-amino-20-hydroxy-14,20-dioxo-15,19,21-trioxa-20lambda~5~-phosphatricos-5-en-17-yl hexadecanoate

82H

82H
Name:	Velsecorat
Formula:	C32 H32 F2 N4 O6
SMILES:	C[CH](NC(=O)C(C)(F)F)[CH](Oc1ccc2n(ncc2c1)c3cccc(c3)C(=O)N[CH]4CCOC4)c5ccc6OCCOc6c5
InChi:	InChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23+,29-/m0/s1
Synonyms:	3-[5-[(1R,2S)-2-(2,2-difluoropropanoylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]indazol-1-yl]-N-[(3R)-oxolan-3-yl]benzamide
Definition date:	2021-09-28
Last modified:	2023-02-03
Release date:	2023-02-08
Identifier:	3-[5-[(1~{R},2~{S})-2-[2,2-bis(fluoranyl)propanoylamino]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]indazol-1-yl]-~{N}-[(3~{R})-oxolan-3-yl]benzamide

X4E

X4E
Name:	{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-3-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)-1-benzothiophen-3-yl-kappaC~3~]iridium(1+)
Formula:	C53 H38 Ir N6 O S2
SMILES:	O=C(CCc1cccnc1)NCc1ccc2c3ccccn3[Ir+]34(c5c6ccccc6sc5c5ccc6ccccc6n53)(c3c5ccccc5sc3c3ccc5ccccc5n34)n2c1
InChi:	InChI=1S/C19H18N4O.2C17H10NS.Ir/c24-19(9-7-15-4-3-10-20-12-15)23-14-16-6-8-18(22-13-16)17-5-1-2-11-21-17
Definition date:	2022-10-26
Last modified:	2023-01-27
Release date:	2023-02-01
Identifier:	{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-3-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)-1-benzothiophen-3-yl-kappaC~3~]iridium(1+)

XEW

XEW
Name:	N-(4-chlorophenyl)-N'-(propan-2-yl)triimidodicarbonic diamide
Formula:	C11 H16 Cl N5
SMILES:	Clc1ccc(NC(=N)NC(=N)NC(C)C)cc1
InChi:	InChI=1S/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H5,13,14,15,16,17)
Definition date:	2022-11-14
Last modified:	2023-01-27
Release date:	2023-02-01
Identifier:	N-(4-chlorophenyl)-N'-(propan-2-yl)triimidodicarbonic diamide

WZN

WZN
Name:	{tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)
Formula:	C54 H47 Ir N7 O3
SMILES:	CC(C)(C)OC(=O)NC(Cc1ccncc1)C(=O)NCc1ccc2c3ccccn3[Ir+]34(c5ccccc5c5ccc6ccccc6n53)(c3ccccc3c3ccc5ccccc5n34)n2c1
InChi:	InChI=1S/C24H27N5O3.2C15H10N.Ir/c1-24(2,3)32-23(31)29-21(14-17-9-12-25-13-10-17)22(30)28-16-18-7-8-20(27-15-18)19-6-4-5-11-26-19
Definition date:	2022-10-24
Last modified:	2023-01-27
Release date:	2023-02-01
Identifier:	{tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)

X0E

X0E
Name:	{tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium
Formula:	C54 H47 Ir N7 O3
SMILES:	CC(C)(C)OC(=O)NC(Cc1ccncc1)C(=O)NCc1ccc2c3ccccn3[Ir+]34(c5ccccc5c5ccc6ccccc6n53)(c3ccccc3c3ccc5ccccc5n34)n2c1
InChi:	InChI=1S/C24H27N5O3.2C15H10N.Ir/c1-24(2,3)32-23(31)29-21(14-17-9-12-25-13-10-17)22(30)28-16-18-7-8-20(27-15-18)19-6-4-5-11-26-19
Definition date:	2022-10-25
Last modified:	2023-01-27
Release date:	2023-02-01
Identifier:	{tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)

X1C

X1C
Name:	{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)
Formula:	C49 H38 Ir N6 O
SMILES:	O=C(CCc1ccncc1)NCc1ccc2c3ccccn3[Ir+]34(c5ccccc5c5ccc6ccccc6n53)(c3ccccc3c3ccc5ccccc5n34)n2c1
InChi:	InChI=1S/C19H18N4O.2C15H10N.Ir/c24-19(7-5-15-8-11-20-12-9-15)23-14-16-4-6-18(22-13-16)17-3-1-2-10-21-17
Definition date:	2022-10-25
Last modified:	2023-01-27
Release date:	2023-02-01
Identifier:	{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)

X1I

X1I
Name:	{tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methylidene]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[3,5-difluoro-2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)
Formula:	C46 H37 F4 Ir N7 O3
SMILES:	Fc1cc2c(c(F)c1)c1ccccn1[Ir+]212(c3cc(F)cc(F)c3c3ccccn31)n1ccccc1c1ccc(cn12)/C=NC(=O)C(NC(=O)OC(C)(C)C)Cc1ccncc1
InChi:	InChI=1S/C24H25N5O3.2C11H6F2N.Ir/c1-24(2,3)32-23(31)29-21(14-17-9-12-25-13-10-17)22(30)28-16-18-7-8-20(27-15-18)19-6-4-5-11-26-19
Definition date:	2022-10-25
Last modified:	2023-01-27
Release date:	2023-02-01
Identifier:	{tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methylidene]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[3,5-difluoro-2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)

X1O

X1O
Name:	{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[3,5-difluoro-2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)
Formula:	C41 H30 F4 Ir N6 O
SMILES:	Fc1cc2c(c(F)c1)c1ccccn1[Ir+]212(c3cc(F)cc(F)c3c3ccccn31)n1ccccc1c1ccc(cn12)CNC(=O)CCc1ccncc1
InChi:	InChI=1S/C19H18N4O.2C11H6F2N.Ir/c24-19(7-5-15-8-11-20-12-9-15)23-14-16-4-6-18(22-13-16)17-3-1-2-10-21-17
Definition date:	2022-10-25
Last modified:	2023-01-27
Release date:	2023-02-01
Identifier:	{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[3,5-difluoro-2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)

X2B

X2B
Name:	{N-[1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]benzamide}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)
Formula:	C56 H43 Ir N7 O2
SMILES:	O=C(NCc1ccc2c3ccccn3[Ir+]34(c5ccccc5c5ccc6ccccc6n53)(c3ccccc3c3ccc5ccccc5n34)n2c1)C(NC(=O)c1ccccc1)Cc1ccncc1
InChi:	InChI=1S/C26H23N5O2.2C15H10N.Ir/c32-25(21-6-2-1-3-7-21)31-24(16-19-11-14-27-15-12-19)26(33)30-18-20-9-10-23(29-17-20)22-8-4-5-13-28-22
Definition date:	2022-10-25
Last modified:	2023-01-27
Release date:	2023-02-01
Identifier:	{N-[1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]benzamide}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)

X2Q

X2Q
Name:	{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)-1-benzothiophen-3-yl-kappaC~3~]iridium(1+)
Formula:	C53 H38 Ir N6 O S2
SMILES:	O=C(CCc1ccncc1)NCc1ccc2c3ccccn3[Ir+]34(c5c6ccccc6sc5c5ccc6ccccc6n53)(c3c5ccccc5sc3c3ccc5ccccc5n34)n2c1
InChi:	InChI=1S/C19H18N4O.2C17H10NS.Ir/c24-19(7-5-15-8-11-20-12-9-15)23-14-16-4-6-18(22-13-16)17-3-1-2-10-21-17
Definition date:	2022-10-26
Last modified:	2023-01-27
Release date:	2023-02-01
Identifier:	{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)-1-benzothiophen-3-yl-kappaC~3~]iridium(1+)

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