5-(diethylamino)-2-methanoyl-phenolate; iridium; 2-(4-methoxynaphthalen-1-yl)benzotriazole

Systemtic Name: 5-(diethylamino)-2-methanoyl-phenolate; iridium; 2-(4-methoxynaphthalen-1-yl)benzotriazole Openeye Name: 5-(diethylamino)-2-formyl-phenolate; iridium; 2-(4-methoxy-1-naphthyl)benzotriazole CAS Name: 5-(diethylamino)-2-formylphenolate; iridium; 2-(4-methoxy-1-naphthalenyl)benzotriazole IUPAC Name: 5-(diethylamino)-2-formylphenolate; iridium; 2-(4-methoxynaphthalen-1-yl)benzotriazole Traditional Name: 5-(diethylamino)-2-formyl-phenolate; iridium; 2-(4-methoxy-1-naphthyl)benzotriazole Formula: C45H40IrN7O4- MolecularWeight: 935.0606

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C=O)[O-].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

CCN(CC)C1=CC(=C(C=C1)C=O)[O-].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.C11H15NO2.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;1-3-12(4-2)10-6-5-9(8-13)11(14)7-10;/h2*2-11H,1H3;5-8,14H,3-4H2,1-2H3;/p-1