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

Systemtic Name: 2-(4-fluorophenyl)-5H-benzotriazol-5-ide; iridium(3+) Openeye Name: 2-(4-fluorophenyl)-5H-benzotriazol-5-ide; iridium(3+) CAS Name: 2-(4-fluorophenyl)-5H-benzotriazol-5-ide; iridium(3+) IUPAC Name: 2-(4-fluorophenyl)-5H-benzotriazol-5-ide; iridium(3+) Traditional Name: 2-(4-fluorophenyl)-5H-benzotriazol-5-ide; iridium(3+) Formula: C36H21F3IrN9 MolecularWeight: 828.82445

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NN(N=C2C=[C-]1)C3=CC=C(C=C3)F.C1=CC2=NN(N=C2C=[C-]1)C3=CC=C(C=C3)F.C1=CC2=NN(N=C2C=[C-]1)C3=CC=C(C=C3)F.[Ir+3]

Isomeric SMILES

C1=CC2=NN(N=C2C=[C-]1)C3=CC=C(C=C3)F.C1=CC2=NN(N=C2C=[C-]1)C3=CC=C(C=C3)F.C1=CC2=NN(N=C2C=[C-]1)C3=CC=C(C=C3)F.[Ir+3]

InChI

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