9ZQ

Ru(phen)2(dppz-11,12-Me2)

Created:	2016-07-05
Last modified:	2017-02-15

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Chemical Details
Formal Charge	6
Atom Count	83
Chiral Atom Count	0
Bond Count	96
Aromatic Bond Count	58

2D diagram of 9ZQ

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Chemical Component Summary
Name	Ru(phen)2(dppz-11,12-Me2)
Formula	C₄₄ H₃₀ N₈ Ru
Molecular Weight	771.833
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1cc2nc3c4ccc[n+]5c4c6c(ccc[n+]6[Ru]578([n+]9cccc%10ccc%11ccc[n+]7c%11c9%10)[n+]%12cccc%13ccc%14ccc[n+]8c%14c%12%13)c3nc2cc1C
SMILES	OpenEye OEToolkits	2.0.5	Cc1cc2c(cc1C)nc3c4ccc[n+]5c4c6c(c3n2)ccc[n+]6[Ru]578([n+]9cccc1c9c2[n+]7cccc2cc1)[n+]1cccc2c1c1[n+]8cccc1cc2
Canonical SMILES	CACTVS	3.385	Cc1cc2nc3c4ccc[n+]5c4c6c(ccc[n+]6[Ru]578([n+]9cccc%10ccc%11ccc[n+]7c%11c9%10)[n+]%12cccc%13ccc%14ccc[n+]8c%14c%12%13)c3nc2cc1C
Canonical SMILES	OpenEye OEToolkits	2.0.5	Cc1cc2c(cc1C)nc3c4ccc[n+]5c4c6c(c3n2)ccc[n+]6[Ru]578([n+]9cccc1c9c2[n+]7cccc2cc1)[n+]1cccc2c1c1[n+]8cccc1cc2
InChI	InChI	1.03	InChI=1S/C20H14N4.2C12H8N2.Ru/c1-11-9-15-16(10-12(11)2)24-20-14-6-4-8-22-18(14)17-13(19(20)23-15)5-3-7-21-17;21-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3-10H,1-2H3;21-8H;/q;;;+6
InChIKey	InChI	1.03	SWTHIMQOVCZKDV-UHFFFAOYSA-N

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