iridium; 2-(4-methoxynaphthalen-1-yl)benzotriazole; 5-methyl-2-phenyl-4-(phenylcarbonyl)pyrazol-3-olate

Systemtic Name: iridium; 2-(4-methoxynaphthalen-1-yl)benzotriazole; 5-methyl-2-phenyl-4-(phenylcarbonyl)pyrazol-3-olate Openeye Name: 4-benzoyl-5-methyl-2-phenyl-pyrazol-3-olate; iridium; 2-(4-methoxy-1-naphthyl)benzotriazole CAS Name: 4-benzoyl-5-methyl-2-phenyl-3-pyrazololate; iridium; 2-(4-methoxy-1-naphthalenyl)benzotriazole IUPAC Name: 4-benzoyl-5-methyl-2-phenylpyrazol-3-olate; iridium; 2-(4-methoxynaphthalen-1-yl)benzotriazole Traditional Name: 4-benzoyl-5-methyl-2-phenyl-pyrazol-3-olate; iridium; 2-(4-methoxy-1-naphthyl)benzotriazole Formula: C51H39IrN8O4- MolecularWeight: 1020.12356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)C2=CC=CC=C2)[O-])C3=CC=CC=C3.COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.[Ir]

Isomeric SMILES

CC1=NN(C(=C1C(=O)C2=CC=CC=C2)[O-])C3=CC=CC=C3.COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.[Ir]

InChI

InChI=1S/2C17H13N3O.C17H14N2O2.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;1-12-15(16(20)13-8-4-2-5-9-13)17(21)19(18-12)14-10-6-3-7-11-14;/h2*2-11H,1H3;2-11,21H,1H3;/p-1