2-(4-tert-butylphenyl)-5H-benzotriazol-5-ide; iridium(3+)

Systemtic Name: 2-(4-tert-butylphenyl)-5H-benzotriazol-5-ide; iridium(3+) Openeye Name: 2-(4-tert-butylphenyl)-5H-benzotriazol-5-ide; iridium(3+) CAS Name: 2-(4-tert-butylphenyl)-5H-benzotriazol-5-ide; iridium(3+) IUPAC Name: 2-(4-tert-butylphenyl)-5H-benzotriazol-5-ide; iridium(3+) Traditional Name: 2-(4-tert-butylphenyl)-5H-benzotriazol-5-ide; iridium(3+) Formula: C48H48IrN9 MolecularWeight: 943.17202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C16H16N3.Ir/c3*1-16(2,3)12-8-10-13(11-9-12)19-17-14-6-4-5-7-15(14)18-19;/h3*4,6-11H,1-3H3;/q3*-1;+3