4,10-diphenyl-1H-1,10-phenanthroline; ruthenium(2+); dichloride

Systemtic Name: 4,10-diphenyl-1H-1,10-phenanthroline; ruthenium(2+); dichloride Openeye Name: 4,10-diphenyl-1H-1,10-phenanthroline; ruthenium(2+); dichloride CAS Name: 4,10-diphenyl-1H-1,10-phenanthroline; ruthenium(2+); dichloride IUPAC Name: 4,10-diphenyl-1H-1,10-phenanthroline; ruthenium(2+); dichloride Traditional Name: 4,10-diphenyl-1H-1,10-phenanthroline; ruthenium(2+); dichloride Formula: C72H54Cl2N6Ru MolecularWeight: 1175.21536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC4=CC=CN(C4=C3NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=CC=CN(C4=C3NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=CC=CN(C4=C3NC=C2)C5=CC=CC=C5.[Cl-].[Cl-].[Ru+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC4=CC=CN(C4=C3NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=CC=CN(C4=C3NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=CC=CN(C4=C3NC=C2)C5=CC=CC=C5.[Cl-].[Cl-].[Ru+2]

InChI

InChI=1S/3C24H18N2.2ClH.Ru/c3*1-3-8-18(9-4-1)21-15-16-25-23-22(21)14-13-19-10-7-17-26(24(19)23)20-11-5-2-6-12-20;;;/h3*1-17,25H;2*1H;/q;;;;;+2/p-2