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- ChemComp-RKF: (11,12-difluorodipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~... -

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Basic information

EntryDatabase: PDB chemical components / ID: RKF
NameName: (11,12-difluorodipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+)

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Chemical information

Composition
Formula: C38H20F2N12Ru / Number of atoms: 73 / Formula weight: 783.713 / Formal charge: 2
Others

4ms5

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: RKF / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4MS5
History
Create componentNov 1, 2013
Initial releaseOct 8, 2014
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

OpenEye OEToolkits 1.7.6c1cc2c3c4c1N=CC=[N]4[Ru+2]56([N]3=CC=N2)([N]7=C8C(=CC=C7)c9c(nc1cc(c(cc1n9)F)F)C1=CC=C[N]5=C18)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]61

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SMILES CANONICAL

OpenEye OEToolkits 1.7.6c1cc2c3c4c1N=CC=[N]4[Ru+2]56([N]3=CC=N2)([N]7=C8C(=CC=C7)c9c(nc1cc(c(cc1n9)F)F)C1=CC=C[N]5=C18)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]61

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InChI

InChI 1.03InChI=1S/C18H8F2N4.2C10H6N4.Ru/c19-11-7-13-14(8-12(11)20)24-18-10-4-2-6-22-16(10)15-9(17(18)23-13)3-1-5-21-15;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h1-8H;2*1-6H;/q;;;+2

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InChIKey

InChI 1.03DYCZIOAIFCZYGH-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-4ms5:
Lambda-[Ru(TAP)2(dppz-11,12-(F)2)]2+ bound to CCGGATCCGG

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