2-(1,3-benzoxazol-2-yl)phenolate; iridium; 4-methyl-2-naphthalen-1-yl-benzotriazole

Systemtic Name: 2-(1,3-benzoxazol-2-yl)phenolate; iridium; 4-methyl-2-naphthalen-1-yl-benzotriazole Openeye Name: 2-(1,3-benzoxazol-2-yl)phenolate; iridium; 4-methyl-2-(1-naphthyl)benzotriazole CAS Name: 2-(1,3-benzoxazol-2-yl)phenolate; iridium; 4-methyl-2-(1-naphthalenyl)benzotriazole IUPAC Name: 2-(1,3-benzoxazol-2-yl)phenolate; iridium; 4-methyl-2-naphthalen-1-ylbenzotriazole Traditional Name: 2-(1,3-benzoxazol-2-yl)phenolate; iridium; 4-methyl-2-(1-naphthyl)benzotriazole Formula: C47H34IrN7O2- MolecularWeight: 921.03556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NN(N=C12)C3=CC=CC4=CC=CC=C43.CC1=CC=CC2=NN(N=C12)C3=CC=CC4=CC=CC=C43.C1=CC=C(C(=C1)C2=NC3=CC=CC=C3O2)[O-].[Ir]

Isomeric SMILES

CC1=CC=CC2=NN(N=C12)C3=CC=CC4=CC=CC=C43.CC1=CC=CC2=NN(N=C12)C3=CC=CC4=CC=CC=C43.C1=CC=C(C(=C1)C2=NC3=CC=CC=C3O2)[O-].[Ir]

InChI

InChI=1S/2C17H13N3.C13H9NO2.Ir/c2*1-12-6-4-10-15-17(12)19-20(18-15)16-11-5-8-13-7-2-3-9-14(13)16;15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;/h2*2-11H,1H3;1-8,15H;/p-1