iridium(3+); 2-(3-phenylbenzene-5-id-1-yl)benzotriazole; pyridine-2-carboxylate

Systemtic Name: iridium(3+); 2-(3-phenylbenzene-5-id-1-yl)benzotriazole; pyridine-2-carboxylate Openeye Name: iridium(3+); 2-(3-phenylbenzene-5-id-1-yl)benzotriazole; pyridine-2-carboxylate CAS Name: iridium(3+); 2-(3-phenyl-1-benzene-5-idyl)benzotriazole; 2-pyridinecarboxylate IUPAC Name: iridium(3+); 2-(3-phenylbenzene-5-id-1-yl)benzotriazole; pyridine-2-carboxylate Traditional Name: iridium(3+); 2-(3-phenylbenzene-5-id-1-yl)benzotriazole; picolinate Formula: C42H28IrN7O2 MolecularWeight: 854.93442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C[C-]=C2)N3N=C4C=CC=CC4=N3.C1=CC=C(C=C1)C2=CC(=C[C-]=C2)N3N=C4C=CC=CC4=N3.C1=CC=NC(=C1)C(=O)[O-].[Ir+3]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C[C-]=C2)N3N=C4C=CC=CC4=N3.C1=CC=C(C=C1)C2=CC(=C[C-]=C2)N3N=C4C=CC=CC4=N3.C1=CC=NC(=C1)C(=O)[O-].[Ir+3]

InChI

InChI=1S/2C18H12N3.C6H5NO2.Ir/c2*1-2-7-14(8-3-1)15-9-6-10-16(13-15)21-19-17-11-4-5-12-18(17)20-21;8-6(9)5-3-1-2-4-7-5;/h2*1-5,7-13H;1-4H,(H,8,9);/q2*-1;;+3/p-1