iridium; 2-(4-methoxynaphthalen-1-yl)benzotriazole; 2-(phenyliminomethyl)phenolate

Systemtic Name: iridium; 2-(4-methoxynaphthalen-1-yl)benzotriazole; 2-(phenyliminomethyl)phenolate Openeye Name: iridium; 2-(4-methoxy-1-naphthyl)benzotriazole; 2-(phenyliminomethyl)phenolate CAS Name: iridium; 2-(4-methoxy-1-naphthalenyl)benzotriazole; 2-(phenyliminomethyl)phenolate IUPAC Name: iridium; 2-(4-methoxynaphthalen-1-yl)benzotriazole; 2-(phenyliminomethyl)phenolate Traditional Name: iridium; 2-(4-methoxy-1-naphthyl)benzotriazole; 2-(phenyliminomethyl)phenolate Formula: C47H36IrN7O3- MolecularWeight: 939.05084

Click to see the large picture

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=C(C=C1)N=CC2=CC=CC=C2[O-].[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=C(C=C1)N=CC2=CC=CC=C2[O-].[Ir]

InChI

InChI=1S/2C17H13N3O.C13H11NO.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;15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12;/h2*2-11H,1H3;1-10,15H;/p-1