iridium; 2-(4-methoxynaphthalen-1-yl)benzotriazole; 2-pyridin-2-ylbenzimidazol-1-ide

Systemtic Name: iridium; 2-(4-methoxynaphthalen-1-yl)benzotriazole; 2-pyridin-2-ylbenzimidazol-1-ide Openeye Name: iridium; 2-(4-methoxy-1-naphthyl)benzotriazole; 2-(2-pyridyl)benzimidazol-1-ide CAS Name: iridium; 2-(4-methoxy-1-naphthalenyl)benzotriazole; 2-(2-pyridinyl)benzimidazol-1-ide IUPAC Name: iridium; 2-(4-methoxynaphthalen-1-yl)benzotriazole; 2-pyridin-2-ylbenzimidazol-1-ide Traditional Name: iridium; 2-(4-methoxy-1-naphthyl)benzotriazole; 2-(2-pyridyl)benzimidazol-1-ide Formula: C46H34IrN9O2- MolecularWeight: 937.03826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.C1=CC=C2C(=C1)[N-]C(=N2)C3=CC=CC=N3.[Ir]

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.C1=CC=C2C(=C1)[N-]C(=N2)C3=CC=CC=N3.[Ir]

InChI

InChI=1S/2C17H13N3O.C12H8N3.Ir/c2*1-21-17-11-10-16(12-6-2-3-7-13(12)17)20-18-14-8-4-5-9-15(14)19-20;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;/h2*2-11H,1H3;1-8H;/q;;-1;