2-(4-fluorophenyl)-1-phenyl-benzimidazole; iridium(3+); pyridine-2-carboxylate

Systemtic Name: 2-(4-fluorophenyl)-1-phenyl-benzimidazole; iridium(3+); pyridine-2-carboxylate Openeye Name: 2-(4-fluorophenyl)-1-phenyl-benzimidazole; iridium(3+); pyridine-2-carboxylate CAS Name: 2-(4-fluorophenyl)-1-phenylbenzimidazole; iridium(3+); 2-pyridinecarboxylate IUPAC Name: 2-(4-fluorophenyl)-1-phenylbenzimidazole; iridium(3+); pyridine-2-carboxylate Traditional Name: 2-(4-fluorophenyl)-1-phenyl-benzimidazole; iridium(3+); picolinate Formula: C56H38F2IrN7O6 MolecularWeight: 1135.158026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC=C(C=C4)F.C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC=C(C=C4)F.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)N2C3=CC=CC=C3N=C2C4=CC=C(C=C4)F.C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC=C(C=C4)F.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/2C19H13FN2.3C6H5NO2.Ir/c2*20-15-12-10-14(11-13-15)19-21-17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16;3*8-6(9)5-3-1-2-4-7-5;/h2*1-13H;3*1-4H,(H,8,9);/q;;;;;+3/p-3