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

Systemtic Name: 2-(4-tert-butylphenyl)-5H-benzotriazol-5-ide; iridium(3+); pyridine-2-carboxylate Openeye Name: 2-(4-tert-butylphenyl)-5H-benzotriazol-5-ide; iridium(3+); pyridine-2-carboxylate CAS Name: 2-(4-tert-butylphenyl)-5H-benzotriazol-5-ide; iridium(3+); 2-pyridinecarboxylate IUPAC Name: 2-(4-tert-butylphenyl)-5H-benzotriazol-5-ide; iridium(3+); pyridine-2-carboxylate Traditional Name: 2-(4-tert-butylphenyl)-5H-benzotriazol-5-ide; iridium(3+); picolinate Formula: C38H36IrN7O2 MolecularWeight: 814.95514

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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.C1=CC=NC(=C1)C(=O)[O-].[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.C1=CC=NC(=C1)C(=O)[O-].[Ir+3]

InChI

InChI=1S/2C16H16N3.C6H5NO2.Ir/c2*1-16(2,3)12-8-10-13(11-9-12)19-17-14-6-4-5-7-15(14)18-19;8-6(9)5-3-1-2-4-7-5;/h2*4,6-11H,1-3H3;1-4H,(H,8,9);/q2*-1;;+3/p-1