cobalt(3+); 4,7-diphenyl-1,10-phenanthroline; trichloride

Systemtic Name: cobalt(3+); 4,7-diphenyl-1,10-phenanthroline; trichloride Openeye Name: cobaltic 4,7-diphenyl-1,10-phenanthroline trichloride CAS Name: cobalt(3+); 4,7-diphenyl-1,10-phenanthroline; trichloride IUPAC Name: cobalt(3+); 4,7-diphenyl-1,10-phenanthroline; trichloride Traditional Name: cobaltic 4,7-diphenyl-1,10-phenanthroline trichloride Formula: C72H48Cl3CoN6 MolecularWeight: 1162.48392

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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-].[Co+3]

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-].[Co+3]

InChI

InChI=1S/3C24H16N2.3ClH.Co/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;3*1H;/q;;;;;;+3/p-3