4,7-diphenyl-1,10-phenanthroline; nickel(2+); dinitrate

Systemtic Name: 4,7-diphenyl-1,10-phenanthroline; nickel(2+); dinitrate Openeye Name: nickelous 4,7-diphenyl-1,10-phenanthroline dinitrate CAS Name: 4,7-diphenyl-1,10-phenanthroline; nickel(2+); dinitrate IUPAC Name: 4,7-diphenyl-1,10-phenanthroline; nickel(2+); dinitrate Traditional Name: nickelous 4,7-diphenyl-1,10-phenanthroline dinitrate Formula: C72H48N8NiO6 MolecularWeight: 1179.89492

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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.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Ni+2]

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.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Ni+2]

InChI

InChI=1S/3C24H16N2.2NO3.Ni/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;2*2-1(3)4;/h3*1-16H;;;/q;;;2*-1;+2