EQQ

Summary

Name:	Ruthenium (bis-(tetraazaphenanthrene)) (11,12-dicyano-dipyridophenazine)
Formula:	C40 H20 N14 Ru
Formal charge:	0
Formula weight:	797.751 Da
Component type:	NON-POLYMER
Ambiguous Chemistry Warning:	The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution.

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C20H8N6.2C10H6N4.Ru/c21-9-11-7-15-16(8-12(11)10-22)26-20-14-4-2-6-24-18(14)17-13(19(20)25-15)3-1-5-23-17;21-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h1-8H;21-6H;
InChIKey	InChI	1.03	XDABVVGEVJPXML-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	[Ru].N#Cc1cc2nc3c4cccnc4c5ncccc5c3nc2cc1C#N.c6cnc7c(ccc8nccnc78)n6.c9cnc%10c(ccc%11nccnc%10%11)n9
SMILES	CACTVS	3.385	[Ru].N#Cc1cc2nc3c4cccnc4c5ncccc5c3nc2cc1C#N.c6cnc7c(ccc8nccnc78)n6.c9cnc%10c(ccc%11nccnc%10%11)n9
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	c1c(c(cc2c1nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=C1C(=NC=C9)C=CC2=NC=C[N]7=C21)[N]1=C2C(=NC=C1)C=CC1=NC=C[N]8=C12)C#N)C#N
SMILES	OpenEye OEToolkits	2.0.6	c1c(c(cc2c1nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=C1C(=NC=C9)C=CC2=NC=C[N]7=C21)[N]1=C2C(=NC=C1)C=CC1=NC=C[N]8=C12)C#N)C#N