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SummaryGeometryRelated PDB entries

RUL

Summary
Name:tetrakis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~13~,N~14~)diruthenium(4+)
Formula:C64 H44 N14 Ru2
Formal charge:4
Formula weight:1211.268 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01tetrakis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~13~,N~14~)diruthenium(4+)

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1c%13c(nc4c1c2cccn%11c2c3n(cccc34)[Ru+2]7%10%11(n5ccccc5c6ccccn67)n8ccccc8c9ccccn9%10)c%12cccn%21c%12c%14c%13cccn%14[Ru+2]%17%20%21(n%15ccccc%15c%16ccccn%16%17)n%18ccccc%18c%19ccccn%19%20
InChIInChI1.03InChI=1S/C24H12N6.4C10H8N2.2Ru/c1-5-13-17(25-9-1)18-14(6-2-10-26-18)22-21(13)29-23-15-7-3-11-27-19(15)20-16(24(23)30-22)8-4-12-28-20;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h1-12H;4*1-8H;;/q;;;;;2*+2
InChIKeyInChI1.03CUPZTUKKQZECGK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385[Ru++]|1|2|3(|n4ccccc4c5ccccn|15)(|n6ccccc6c7ccccn|27)|n8cccc9c8c%10n|3cccc%10c%11nc%12c%13cccn%14|[Ru++]|%15|%16(|n%17ccccc%17c%18ccccn|%15%18)(|n%19ccccc%19c%20ccccn|%16%20)|n%21cccc(c%21c%13%14)c%12nc9%11
SMILESCACTVS3.385[Ru++]|1|2|3(|n4ccccc4c5ccccn|15)(|n6ccccc6c7ccccn|27)|n8cccc9c8c%10n|3cccc%10c%11nc%12c%13cccn%14|[Ru++]|%15|%16(|n%17ccccc%17c%18ccccn|%15%18)(|n%19ccccc%19c%20ccccn|%16%20)|n%21cccc(c%21c%13%14)c%12nc9%11
SMILES_CANONICALOpenEye OEToolkits1.7.6C1=CC=[N]2C(=C1)C3=CC=CC=[N]3[Ru+2]245([N]6=C7C(=CC=C6)c8c(nc9c1c2c3c(c9n8)C=CC=[N]3[Ru+2]36([N]2=CC=C1)([N]1=C(C=CC=C1)C1=[N]3C=CC=C1)[N]1=C(C=CC=C1)C1=[N]6C=CC=C1)C1=CC=C[N]4=C17)[N]1=CC=CC=C1C1=CC=CC=[N]51
SMILESOpenEye OEToolkits1.7.6C1=CC=[N]2C(=C1)C3=CC=CC=[N]3[Ru+2]245([N]6=C7C(=CC=C6)c8c(nc9c1c2c3c(c9n8)C=CC=[N]3[Ru+2]36([N]2=CC=C1)([N]1=C(C=CC=C1)C1=[N]3C=CC=C1)[N]1=C(C=CC=C1)C1=[N]6C=CC=C1)C1=CC=C[N]4=C17)[N]1=CC=CC=C1C1=CC=CC=[N]51

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