4,7-diphenyl-1,10-phenanthroline; 4-[2-(4-methylpyridin-2-yl)pyridin-4-yl]butanoic acid; ruthenium

Systemtic Name: 4,7-diphenyl-1,10-phenanthroline; 4-[2-(4-methylpyridin-2-yl)pyridin-4-yl]butanoic acid; ruthenium Openeye Name: 4,7-diphenyl-1,10-phenanthroline; 4-[2-(4-methyl-2-pyridyl)-4-pyridyl]butanoic acid; ruthenium CAS Name: 4,7-diphenyl-1,10-phenanthroline; 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid; ruthenium IUPAC Name: 4,7-diphenyl-1,10-phenanthroline; 4-[2-(4-methylpyridin-2-yl)pyridin-4-yl]butanoic acid; ruthenium Traditional Name: 4,7-diphenyl-1,10-phenanthroline; 4-[2-(4-methyl-2-pyridyl)-4-pyridyl]butyric acid; ruthenium Formula: C63H48N6O2Ru MolecularWeight: 1022.16422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C2=NC=CC(=C2)CCCC(=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)CCCC(=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.C15H16N2O2.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;1-11-5-7-16-13(9-11)14-10-12(6-8-17-14)3-2-4-15(18)19;/h2*1-16H;5-10H,2-4H2,1H3,(H,18,19);