4,7-diphenyl-1,10-phenanthroline; ruthenium(4+); tetrachloride

Systemtic Name: 4,7-diphenyl-1,10-phenanthroline; ruthenium(4+); tetrachloride Openeye Name: 4,7-diphenyl-1,10-phenanthroline; ruthenium(4+); tetrachloride CAS Name: 4,7-diphenyl-1,10-phenanthroline; ruthenium(4+); tetrachloride IUPAC Name: 4,7-diphenyl-1,10-phenanthroline; ruthenium(4+); tetrachloride Traditional Name: 4,7-diphenyl-1,10-phenanthroline; ruthenium(4+); tetrachloride Formula: C72H48Cl4N6Ru MolecularWeight: 1240.07372

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Descriptors Computed from Structure

Canonical SMILES:

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.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.[Cl-].[Cl-].[Cl-].[Cl-].[Ru+4]

Isomeric SMILES

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.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.[Cl-].[Cl-].[Cl-].[Cl-].[Ru+4]

InChI

InChI=1S/3C24H16N2.4ClH.Ru/c3*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;;;;;/h3*1-16H;4*1H;/q;;;;;;;+4/p-4