iridium(3+); 2-(4-phenylphenyl)benzotriazole

Systemtic Name: iridium(3+); 2-(4-phenylphenyl)benzotriazole Openeye Name: iridium(3+); 2-(4-phenylphenyl)benzotriazole CAS Name: iridium(3+); 2-(4-phenylphenyl)benzotriazole IUPAC Name: iridium(3+); 2-(4-phenylphenyl)benzotriazole Traditional Name: iridium(3+); 2-(4-phenylphenyl)benzotriazole Formula: C54H36IrN9 MolecularWeight: 1003.14094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NN(N=C2C=C1)C3=CC=C(C=C3)C4=C[C-]=CC=C4.C1=CC2=NN(N=C2C=C1)C3=CC=C(C=C3)C4=C[C-]=CC=C4.C1=CC2=NN(N=C2C=C1)C3=CC=C(C=C3)C4=C[C-]=CC=C4.[Ir+3]

Isomeric SMILES

C1=CC2=NN(N=C2C=C1)C3=CC=C(C=C3)C4=C[C-]=CC=C4.C1=CC2=NN(N=C2C=C1)C3=CC=C(C=C3)C4=C[C-]=CC=C4.C1=CC2=NN(N=C2C=C1)C3=CC=C(C=C3)C4=C[C-]=CC=C4.[Ir+3]

InChI

InChI=1S/3C18H12N3.Ir/c3*1-2-6-14(7-3-1)15-10-12-16(13-11-15)21-19-17-8-4-5-9-18(17)20-21;/h3*1-2,4-13H;/q3*-1;+3