2-(2,3-dimethylbenzene-5-id-1-yl)benzotriazole; iridium(3+)

Systemtic Name: 2-(2,3-dimethylbenzene-5-id-1-yl)benzotriazole; iridium(3+) Openeye Name: 2-(2,3-dimethylbenzene-5-id-1-yl)benzotriazole; iridium(3+) CAS Name: 2-(2,3-dimethyl-1-benzene-5-idyl)benzotriazole; iridium(3+) IUPAC Name: 2-(2,3-dimethylbenzene-5-id-1-yl)benzotriazole; iridium(3+) Traditional Name: 2-(2,3-dimethylbenzene-5-id-1-yl)benzotriazole; iridium(3+) Formula: C42H36IrN9 MolecularWeight: 859.01254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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