1-(benzotriazol-2-yl)naphthalen-2-olate; iridium; 2-(4-methoxynaphthalen-1-yl)benzotriazole

Systemtic Name: 1-(benzotriazol-2-yl)naphthalen-2-olate; iridium; 2-(4-methoxynaphthalen-1-yl)benzotriazole Openeye Name: 1-(benzotriazol-2-yl)naphthalen-2-olate; iridium; 2-(4-methoxy-1-naphthyl)benzotriazole CAS Name: 1-(2-benzotriazolyl)-2-naphthalenolate; iridium; 2-(4-methoxy-1-naphthalenyl)benzotriazole IUPAC Name: 1-(benzotriazol-2-yl)naphthalen-2-olate; iridium; 2-(4-methoxynaphthalen-1-yl)benzotriazole Traditional Name: 1-(benzotriazol-2-yl)naphthalen-2-olate; iridium; 2-(4-methoxy-1-naphthyl)benzotriazole Formula: C50H36IrN9O3- MolecularWeight: 1003.09634

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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)C=CC(=C2N3N=C4C=CC=CC4=N3)[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=C2C(=C1)C=CC(=C2N3N=C4C=CC=CC4=N3)[O-].[Ir]

InChI

InChI=1S/2C17H13N3O.C16H11N3O.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;20-15-10-9-11-5-1-2-6-12(11)16(15)19-17-13-7-3-4-8-14(13)18-19;/h2*2-11H,1H3;1-10,20H;/p-1