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

Systemtic Name: iridium; pentane-2,4-dione; 2-(4-propan-2-yloxynaphthalen-1-yl)benzotriazole Openeye Name: iridium; 2-(4-isopropoxy-1-naphthyl)benzotriazole; pentane-2,4-dione CAS Name: iridium; pentane-2,4-dione; 2-(4-propan-2-yloxy-1-naphthalenyl)benzotriazole IUPAC Name: iridium; pentane-2,4-dione; 2-(4-propan-2-yloxynaphthalen-1-yl)benzotriazole Traditional Name: iridium; 2-(4-isopropoxy-1-naphthyl)benzotriazole; pentane-2,4-dione Formula: C43H42IrN6O4 MolecularWeight: 899.04838

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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)CC(=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)CC(=O)C.[Ir]

InChI

InChI=1S/2C19H17N3O.C5H8O2.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;1-4(6)3-5(2)7;/h2*3-13H,1-2H3;3H2,1-2H3;