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

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]-1-methyl-benzimidazole; iridium(3+); pyridine-2-carboxylate Openeye Name: 2-(2,4-difluorophenyl)-1-methyl-benzimidazole; iridium(3+); pyridine-2-carboxylate CAS Name: 2-(2,4-difluorophenyl)-1-methylbenzimidazole; iridium(3+); 2-pyridinecarboxylate IUPAC Name: 2-(2,4-difluorophenyl)-1-methylbenzimidazole; iridium(3+); pyridine-2-carboxylate Traditional Name: 2-(2,4-difluorophenyl)-1-methyl-benzimidazole; iridium(3+); picolinate Formula: C46H32F4IrN7O6 MolecularWeight: 1047.000193

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C3=C(C=C(C=C3)F)F.CN1C2=CC=CC=C2N=C1C3=C(C=C(C=C3)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

CN1C2=CC=CC=C2N=C1C3=C(C=C(C=C3)F)F.CN1C2=CC=CC=C2N=C1C3=C(C=C(C=C3)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/2C14H10F2N2.3C6H5NO2.Ir/c2*1-18-13-5-3-2-4-12(13)17-14(18)10-7-6-9(15)8-11(10)16;3*8-6(9)5-3-1-2-4-7-5;/h2*2-8H,1H3;3*1-4H,(H,8,9);/q;;;;;+3/p-3