2-(2-fluoranylbenzene-6-id-1-yl)benzotriazole; iridium(3+)

Systemtic Name: 2-(2-fluoranylbenzene-6-id-1-yl)benzotriazole; iridium(3+) Openeye Name: 2-(2-fluorobenzene-6-id-1-yl)benzotriazole; iridium(3+) CAS Name: 2-(2-fluoro-1-benzene-6-idyl)benzotriazole; iridium(3+) IUPAC Name: 2-(2-fluorobenzene-6-id-1-yl)benzotriazole; iridium(3+) Traditional Name: 2-(2-fluorobenzene-6-id-1-yl)benzotriazole; iridium(3+) Formula: C36H21F3IrN9 MolecularWeight: 828.82445

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C12H7FN3.Ir/c3*13-9-5-1-4-8-12(9)16-14-10-6-2-3-7-11(10)15-16;/h3*1-7H;/q3*-1;+3