2-[2,4-bis(fluoranyl)phenyl]-1-phenyl-benzimidazole; iridium(3+); pyridine-2-carboxylate

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]-1-phenyl-benzimidazole; iridium(3+); pyridine-2-carboxylate Openeye Name: 2-(2,4-difluorophenyl)-1-phenyl-benzimidazole; iridium(3+); pyridine-2-carboxylate CAS Name: 2-(2,4-difluorophenyl)-1-phenylbenzimidazole; iridium(3+); 2-pyridinecarboxylate IUPAC Name: 2-(2,4-difluorophenyl)-1-phenylbenzimidazole; iridium(3+); pyridine-2-carboxylate Traditional Name: 2-(2,4-difluorophenyl)-1-phenyl-benzimidazole; iridium(3+); picolinate Formula: C56H36F4IrN7O6 MolecularWeight: 1171.138953

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2C4=C(C=C(C=C4)F)F.C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2C4=C(C=C(C=C4)F)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=C(C=C(C=C4)F)F.C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2C4=C(C=C(C=C4)F)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/2C19H12F2N2.3C6H5NO2.Ir/c2*20-13-10-11-15(16(21)12-13)19-22-17-8-4-5-9-18(17)23(19)14-6-2-1-3-7-14;3*8-6(9)5-3-1-2-4-7-5;/h2*1-12H;3*1-4H,(H,8,9);/q;;;;;+3/p-3