2-[2,4-bis(fluoranyl)benzene-6-id-1-yl]-1-methyl-benzimidazole; iridium; pyridine-2-carboxylic acid

Systemtic Name: 2-[2,4-bis(fluoranyl)benzene-6-id-1-yl]-1-methyl-benzimidazole; iridium; pyridine-2-carboxylic acid Openeye Name: 2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-benzimidazole; iridium; pyridine-2-carboxylic acid CAS Name: 2-(2,4-difluoro-1-benzene-6-idyl)-1-methylbenzimidazole; iridium; 2-pyridinecarboxylic acid IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-1-methylbenzimidazole; iridium; pyridine-2-carboxylic acid Traditional Name: 2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-benzimidazole; iridium; picolinic acid Formula: C20H14F2IrN3O2- MolecularWeight: 558.557866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C3=C(C=C(C=[C-]3)F)F.C1=CC=NC(=C1)C(=O)O.[Ir]

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C3=C(C=C(C=[C-]3)F)F.C1=CC=NC(=C1)C(=O)O.[Ir]

InChI

InChI=1S/C14H9F2N2.C6H5NO2.Ir/c1-18-13-5-3-2-4-12(13)17-14(18)10-7-6-9(15)8-11(10)16;8-6(9)5-3-1-2-4-7-5;/h2-6,8H,1H3;1-4H,(H,8,9);/q-1;;