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SummaryGeometryRelated PDB entries

V70

Summary
Name:ruthenium polypyridyl complex (delta enantiomer)
Formula:C38 H28 N6 Ru
Formal charge:null
Formula weight:669.739 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(phenanthrene-9,10-diamine-kappa~2~N,N')bis(1,10-phenanthroline-kappa~2~N~1~,N~10~)ruthenium(4+)

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52c1cc[n+]2c3c4[n+](cccc4ccc13)[Ru]122([NH2]c3c4ccccc4c4ccccc4c3[NH2]1)[n+]1cccc3ccc4ccc[n+]2c4c13
InChIInChI1.06InChI=1S/C14H10N2.2C12H8N2.Ru/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8,15-16H;2*1-8H;/q;;;+2/p+2
InChIKeyInChI1.06UKBMXXMRVJNRPH-UHFFFAOYSA-P
SMILES_CANONICALCACTVS3.385[NH2-]=C1C(=[NH2-])c2ccccc2c3ccccc13.c4cc5ccc6ccc[n+]7c6c5[n+](c4)[Ru]78[n+]9cccc%10ccc%11ccc[n+]8c%11c9%10
SMILESCACTVS3.385[NH2-]=C1C(=[NH2-])c2ccccc2c3ccccc13.c4cc5ccc6ccc[n+]7c6c5[n+](c4)[Ru]78[n+]9cccc%10ccc%11ccc[n+]8c%11c9%10
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc2c(c1)-c3ccccc3C4=[NH2][Ru]56([NH2]=C24)([n+]7cccc8c7c9[n+]5cccc9cc8)[n+]1cccc2c1c1[n+]6cccc1cc2
SMILESOpenEye OEToolkits3.1.0.0c1ccc2c(c1)-c3ccccc3C4=[NH2][Ru]56([NH2]=C24)([n+]7cccc8c7c9[n+]5cccc9cc8)[n+]1cccc2c1c1[n+]6cccc1cc2

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PDB entries from 2026-09-09

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