2-(2,4-dimethylphenyl)-5H-benzotriazol-5-ide; iridium(3+)

Systemtic Name: 2-(2,4-dimethylphenyl)-5H-benzotriazol-5-ide; iridium(3+) Openeye Name: 2-(2,4-dimethylphenyl)-5H-benzotriazol-5-ide; iridium(3+) CAS Name: 2-(2,4-dimethylphenyl)-5H-benzotriazol-5-ide; iridium(3+) IUPAC Name: 2-(2,4-dimethylphenyl)-5H-benzotriazol-5-ide; iridium(3+) Traditional Name: 2-(2,4-dimethylphenyl)-5H-benzotriazol-5-ide; iridium(3+) Formula: C42H36IrN9 MolecularWeight: 859.01254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2N=C3C=C[C-]=CC3=N2)C.CC1=CC(=C(C=C1)N2N=C3C=C[C-]=CC3=N2)C.CC1=CC(=C(C=C1)N2N=C3C=C[C-]=CC3=N2)C.[Ir+3]

Isomeric SMILES

CC1=CC(=C(C=C1)N2N=C3C=C[C-]=CC3=N2)C.CC1=CC(=C(C=C1)N2N=C3C=C[C-]=CC3=N2)C.CC1=CC(=C(C=C1)N2N=C3C=C[C-]=CC3=N2)C.[Ir+3]

InChI

InChI=1S/3C14H12N3.Ir/c3*1-10-7-8-14(11(2)9-10)17-15-12-5-3-4-6-13(12)16-17;/h3*3,5-9H,1-2H3;/q3*-1;+3