iridium; 3-phenylpentane-2,4-dione; 2-(4-propan-2-yloxynaphthalen-1-yl)benzotriazole

Systemtic Name: iridium; 3-phenylpentane-2,4-dione; 2-(4-propan-2-yloxynaphthalen-1-yl)benzotriazole Openeye Name: iridium; 2-(4-isopropoxy-1-naphthyl)benzotriazole; 3-phenylpentane-2,4-dione CAS Name: iridium; 3-phenylpentane-2,4-dione; 2-(4-propan-2-yloxy-1-naphthalenyl)benzotriazole IUPAC Name: iridium; 3-phenylpentane-2,4-dione; 2-(4-propan-2-yloxynaphthalen-1-yl)benzotriazole Traditional Name: iridium; 2-(4-isopropoxy-1-naphthyl)benzotriazole; 3-phenylpentane-2,4-dione Formula: C49H46IrN6O4 MolecularWeight: 975.14434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.CC(C)OC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.CC(=O)C(C1=CC=CC=C1)C(=O)C.[Ir]

Isomeric SMILES

CC(C)OC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.CC(C)OC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.CC(=O)C(C1=CC=CC=C1)C(=O)C.[Ir]

InChI

InChI=1S/2C19H17N3O.C11H12O2.Ir/c2*1-13(2)23-19-12-11-18(14-7-3-4-8-15(14)19)22-20-16-9-5-6-10-17(16)21-22;1-8(12)11(9(2)13)10-6-4-3-5-7-10;/h2*3-13H,1-2H3;3-7,11H,1-2H3;