1,2-diphenylbenzimidazole; iridium(3+); pyridine-2-carboxylate

Systemtic Name: 1,2-diphenylbenzimidazole; iridium(3+); pyridine-2-carboxylate Openeye Name: 1,2-diphenylbenzimidazole; iridium(3+); pyridine-2-carboxylate CAS Name: 1,2-diphenylbenzimidazole; iridium(3+); 2-pyridinecarboxylate IUPAC Name: 1,2-diphenylbenzimidazole; iridium(3+); pyridine-2-carboxylate Traditional Name: 1,2-diphenylbenzimidazole; iridium(3+); picolinate Formula: C56H40IrN7O6 MolecularWeight: 1099.1771

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2C4=CC=CC=C4.C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2C4=CC=CC=C4.C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].[Ir+3]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2C4=CC=CC=C4.C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2C4=CC=CC=C4.C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].[Ir+3]

InChI

InChI=1S/2C19H14N2.3C6H5NO2.Ir/c2*1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;3*8-6(9)5-3-1-2-4-7-5;/h2*1-14H;3*1-4H,(H,8,9);/q;;;;;+3/p-3