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WZN
WZN
表記:{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+)
組成式: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
定義日:2022-10-24
最終更新日:2023-01-27
公開日:2023-02-01
識別子（ID）:{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+)
XRL
XRL
表記:4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]benzonitrile
組成式:C25 H21 N7 O
SMILES:N#Cc1ccc(cc1)Nc1nc2c(NC(=O)CCN2c2c(C)cc(C=CC#N)cc2C)cn1
InChi:InChI=1S/C25H21N7O/c1-16-12-19(4-3-10-26)13-17(2)23(16)32-11-9-22(33)30-21-15-28-25(31-24(21)32)29-20-7-5-18(14-27)6-8-20/h3-8,12-13,15H,9,11H2,1-2H3,(H,30,33)(H,28,29,31)/b4-3+
定義日:2022-12-06
最終更新日:2023-01-27
公開日:2023-02-01
識別子（ID）:4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]benzonitrile
X0E
X0E
表記:{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
組成式: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
定義日:2022-10-25
最終更新日:2023-01-27
公開日:2023-02-01
識別子（ID）:{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+)
XEH
XEH
表記:(1E)-1-[(4-chlorophenyl)methylidene]-2-(4-fluorophenyl)hydrazine
組成式:C13 H10 Cl F N2
SMILES:Clc1ccc(/C=N/Nc2ccc(F)cc2)cc1
InChi:InChI=1S/C13H10ClFN2/c14-11-3-1-10(2-4-11)9-16-17-13-7-5-12(15)6-8-13/h1-9,17H/b16-9+
定義日:2022-11-14
最終更新日:2023-01-27
公開日:2023-02-01
識別子（ID）:(1E)-1-[(4-chlorophenyl)methylidene]-2-(4-fluorophenyl)hydrazine
XEL
XEL
表記:(1E)-1-[(4-chlorophenyl)methylidene]-2-(3-fluorophenyl)hydrazine
組成式:C13 H10 Cl F N2
SMILES:Clc1ccc(/C=N/Nc2cccc(F)c2)cc1
InChi:InChI=1S/C13H10ClFN2/c14-11-6-4-10(5-7-11)9-16-17-13-3-1-2-12(15)8-13/h1-9,17H
定義日:2022-11-14
最終更新日:2023-01-27
公開日:2023-02-01
識別子（ID）:(1E)-1-[(4-chlorophenyl)methylidene]-2-(3-fluorophenyl)hydrazine
X1C
X1C
表記:{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+)
組成式: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
定義日:2022-10-25
最終更新日:2023-01-27
公開日:2023-02-01
識別子（ID）:{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+)
M0F
M0F
表記:4-((6-hydroxybenzofuran-3-yl)methyl)benzoic acid
組成式:C16 H12 O4
SMILES:OC(=O)c1ccc(Cc2coc3cc(O)ccc23)cc1
InChi:InChI=1S/C16H12O4/c17-13-5-6-14-12(9-20-15(14)8-13)7-10-1-3-11(4-2-10)16(18)19/h1-6,8-9,17H,7H2,(H,18,19)
定義日:2022-07-18
最終更新日:2023-01-27
公開日:2023-02-01
識別子（ID）:4-[(6-oxidanyl-1-benzofuran-3-yl)methyl]benzoic acid
X1I
X1I
表記:{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+)
組成式: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
定義日:2022-10-25
最終更新日:2023-01-27
公開日:2023-02-01
識別子（ID）:{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+)
XEW
XEW
表記:N-(4-chlorophenyl)-N'-(propan-2-yl)triimidodicarbonic diamide
組成式: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)
定義日:2022-11-14
最終更新日:2023-01-27
公開日:2023-02-01
識別子（ID）:N-(4-chlorophenyl)-N'-(propan-2-yl)triimidodicarbonic diamide
X1O
X1O
表記:{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+)
組成式: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
定義日:2022-10-25
最終更新日:2023-01-27
公開日:2023-02-01
識別子（ID）:{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+)
XF2
XF2
表記:(2E)-2-[(4-chlorophenyl)methylidene]hydrazine-1-carboximidamide
組成式:C8 H9 Cl N4
SMILES:Clc1ccc(/C=N/NC(=N)N)cc1
InChi:InChI=1S/C8H9ClN4/c9-7-3-1-6(2-4-7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)/b12-5+
定義日:2022-11-14
最終更新日:2023-01-27
公開日:2023-02-01
識別子（ID）:(2E)-2-[(4-chlorophenyl)methylidene]hydrazine-1-carboximidamide
X2B
X2B
表記:{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+)
組成式: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
定義日:2022-10-25
最終更新日:2023-01-27
公開日:2023-02-01
識別子（ID）:{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
表記:{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+)
組成式: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
定義日:2022-10-26
最終更新日:2023-01-27
公開日:2023-02-01
識別子（ID）:{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+)
XH5
XH5
表記:(5S)-5-methyl-1,3-diazinane-2,4-dione
組成式:C5 H8 N2 O2
SMILES:O=C1NC(=O)C(C)CN1
InChi:InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)/t3-/m0/s1
定義日:2022-11-16
最終更新日:2023-01-27
公開日:2023-02-01
識別子（ID）:(5S)-5-methyl-1,3-diazinane-2,4-dione
X4E
X4E
表記:{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+)
組成式: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
定義日:2022-10-26
最終更新日:2023-01-27
公開日:2023-02-01
識別子（ID）:{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+)
VFX
VFX
表記:1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
組成式:C17 H27 N O2
SMILES:OC1(CCCCC1)C(CN(C)C)c1ccc(OC)cc1
InChi:InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/t16-/m0/s1
定義日:2022-11-14
最終更新日:2023-01-27
公開日:2023-02-01
識別子（ID）:1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
YO9
YO9
表記:4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-8-oxo-8,9-dihydro-7H-purin-2-yl)amino]benzonitrile
組成式:C23 H17 N7 O
SMILES:N#Cc1ccc(cc1)Nc1ncc2NC(=O)N(c2n1)c1c(C)cc(C=CC#N)cc1C
InChi:InChI=1S/C23H17N7O/c1-14-10-17(4-3-9-24)11-15(2)20(14)30-21-19(28-23(30)31)13-26-22(29-21)27-18-7-5-16(12-25)6-8-18/h3-8,10-11,13H,1-2H3,(H,28,31)(H,26,27,29)/b4-3+
定義日:2022-12-06
最終更新日:2023-01-27
公開日:2023-02-01
識別子（ID）:4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-8-oxo-8,9-dihydro-7H-purin-2-yl)amino]benzonitrile
S8L
S8L
表記:1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-1H-pyrrole-2-carbaldehyde
組成式:C10 H16 N O14 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cccc2C=O)C(O)C1O
InChi:InChI=1S/C10H16NO14P3/c12-4-6-2-1-3-11(6)10-9(14)8(13)7(23-10)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-4,7-10,13-14H,5H2,(H,18,19)(H,20,21)(H2,15,16,17)/t7-,8-,9-,10?/m1/s1
定義日:2022-06-27
最終更新日:2023-01-27
公開日:2023-02-01
識別子（ID）:1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-1H-pyrrole-2-carbaldehyde
S8U
S8U
表記:1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-pyrrole-2-carbaldehyde
組成式:C10 H14 N O7 P
SMILES:O=P(O)(O)OCC1OC(CC1O)n1cccc1C=O
InChi:InChI=1S/C10H14NO7P/c12-5-7-2-1-3-11(7)10-4-8(13)9(18-10)6-17-19(14,15)16/h1-3,5,8-10,13H,4,6H2,(H2,14,15,16)/t8-,9+,10+/m0/s1
定義日:2022-06-27
最終更新日:2023-01-27
公開日:2023-02-01
識別子（ID）:1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-pyrrole-2-carbaldehyde
S96
S96
表記:(7P)-3-{5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-7-(thiophen-2-yl)-3H-imidazo[4,5-b]pyridine
組成式:C15 H18 N3 O13 P3 S
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(C(O)C1O)n1cnc2c(ccnc21)c1cccs1
InChi:InChI=1S/C15H18N3O13P3S/c19-12-9(6-28-33(24,25)31-34(26,27)30-32(21,22)23)29-15(13(12)20)18-7-17-11-8(3-4-16-14(11)18)10-2-1-5-35-10/h1-5,7,9,12-13,15,19-20H,6H2,(H,24,25)(H,26,27)(H2,21,22,23)/t9-,12-,13-,15-/m1/s1
定義日:2022-06-27
最終更新日:2023-01-27
公開日:2023-02-01
識別子（ID）:(7P)-3-{5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-7-(thiophen-2-yl)-3H-imidazo[4,5-b]pyridine
M8X
M8X
表記:3-[[2-cycloheptylethyl(methyl)amino]methyl]-1~{H}-indol-7-ol
組成式:C19 H28 N2 O
SMILES:CN(CCC1CCCCCC1)Cc2c[nH]c3c(O)cccc23
InChi:InChI=1S/C19H28N2O/c1-21(12-11-15-7-4-2-3-5-8-15)14-16-13-20-19-17(16)9-6-10-18(19)22/h6,9-10,13,15,20,22H,2-5,7-8,11-12,14H2,1H3
定義日:2022-07-26
最終更新日:2023-01-27
公開日:2023-02-01
識別子（ID）:3-[[2-cycloheptylethyl(methyl)amino]methyl]-1~{H}-indol-7-ol
T7I
T7I
表記:3,5-diphenyl-2-(trifluoromethyl)-1~{H}-pyrazolo[1,5-a]pyrimidin-7-one
組成式:C19 H12 F3 N3 O
SMILES:FC(F)(F)C1=C(c2ccccc2)C3=NC(=CC(=O)N3N1)c4ccccc4
InChi:InChI=1S/C19H12F3N3O/c20-19(21,22)17-16(13-9-5-2-6-10-13)18-23-14(11-15(26)25(18)24-17)12-7-3-1-4-8-12/h1-11,24H
定義日:2022-12-22
最終更新日:2023-01-27
公開日:2023-02-01
識別子（ID）:3,5-diphenyl-2-(trifluoromethyl)-1~{H}-pyrazolo[1,5-a]pyrimidin-7-one
LHX
LHX
表記:(1R,2R)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol
組成式:C17 H20 O6
SMILES:COc1cc(ccc1O)[CH](O)[CH](CO)c2ccc(O)c(OC)c2
InChi:InChI=1S/C17H20O6/c1-22-15-7-10(3-5-13(15)19)12(9-18)17(21)11-4-6-14(20)16(8-11)23-2/h3-8,12,17-21H,9H2,1-2H3/t12-,17-/m0/s1
定義日:2022-07-05
最終更新日:2023-01-27
公開日:2023-02-01
識別子（ID）:(1~{R},2~{R})-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol
LJC
LJC
表記:(1S,2S)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol
組成式:C17 H20 O6
SMILES:COc1cc(ccc1O)[CH](O)[CH](CO)c2ccc(O)c(OC)c2
InChi:InChI=1S/C17H20O6/c1-22-15-7-10(3-5-13(15)19)12(9-18)17(21)11-4-6-14(20)16(8-11)23-2/h3-8,12,17-21H,9H2,1-2H3/t12-,17-/m1/s1
定義日:2022-07-05
最終更新日:2023-01-27
公開日:2023-02-01
識別子（ID）:(1~{S},2~{S})-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol
LJL
LJL
表記:(1R,2S)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol
組成式:C17 H20 O6
SMILES:COc1cc(ccc1O)[CH](O)[CH](CO)c2ccc(O)c(OC)c2
InChi:InChI=1S/C17H20O6/c1-22-15-7-10(3-5-13(15)19)12(9-18)17(21)11-4-6-14(20)16(8-11)23-2/h3-8,12,17-21H,9H2,1-2H3/t12-,17+/m1/s1
定義日:2022-07-05
最終更新日:2023-01-27
公開日:2023-02-01
識別子（ID）:(1~{R},2~{S})-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol

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件を2025-10-22に公開中

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