2-(1,3-benzoxazol-2-yl)phenolate; iridium; 2-(4-propan-2-yloxynaphthalen-1-yl)benzotriazole

Systemtic Name: 2-(1,3-benzoxazol-2-yl)phenolate; iridium; 2-(4-propan-2-yloxynaphthalen-1-yl)benzotriazole Openeye Name: 2-(1,3-benzoxazol-2-yl)phenolate; iridium; 2-(4-isopropoxy-1-naphthyl)benzotriazole CAS Name: 2-(1,3-benzoxazol-2-yl)phenolate; iridium; 2-(4-propan-2-yloxy-1-naphthalenyl)benzotriazole IUPAC Name: 2-(1,3-benzoxazol-2-yl)phenolate; iridium; 2-(4-propan-2-yloxynaphthalen-1-yl)benzotriazole Traditional Name: 2-(1,3-benzoxazol-2-yl)phenolate; iridium; 2-(4-isopropoxy-1-naphthyl)benzotriazole Formula: C51H42IrN7O4- MolecularWeight: 1009.14068

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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.C1=CC=C(C(=C1)C2=NC3=CC=CC=C3O2)[O-].[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.C1=CC=C(C(=C1)C2=NC3=CC=CC=C3O2)[O-].[Ir]

InChI

InChI=1S/2C19H17N3O.C13H9NO2.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;15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;/h2*3-13H,1-2H3;1-8,15H;/p-1