4,7-diphenyl-1,10-phenanthroline; 2-(4-methylpyridin-2-yl)pyridine-4-carboxylic acid; ruthenium

Systemtic Name: 4,7-diphenyl-1,10-phenanthroline; 2-(4-methylpyridin-2-yl)pyridine-4-carboxylic acid; ruthenium Openeye Name: 4,7-diphenyl-1,10-phenanthroline; 2-(4-methyl-2-pyridyl)pyridine-4-carboxylic acid; ruthenium CAS Name: 4,7-diphenyl-1,10-phenanthroline; 2-(4-methyl-2-pyridinyl)-4-pyridinecarboxylic acid; ruthenium IUPAC Name: 4,7-diphenyl-1,10-phenanthroline; 2-(4-methylpyridin-2-yl)pyridine-4-carboxylic acid; ruthenium Traditional Name: 4,7-diphenyl-1,10-phenanthroline; 2-(4-methyl-2-pyridyl)isonicotinic acid; ruthenium Formula: C60H42N6O2Ru MolecularWeight: 980.08448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C2=NC=CC(=C2)C(=O)O.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.[Ru]

Isomeric SMILES

CC1=CC(=NC=C1)C2=NC=CC(=C2)C(=O)O.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.[Ru]

InChI

InChI=1S/2C24H16N2.C12H10N2O2.Ru/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-8-2-4-13-10(6-8)11-7-9(12(15)16)3-5-14-11;/h2*1-16H;2-7H,1H3,(H,15,16);