2-[2,4-bis(fluoranyl)benzene-6-id-1-yl]benzotriazole; iridium(3+)

Systemtic Name: 2-[2,4-bis(fluoranyl)benzene-6-id-1-yl]benzotriazole; iridium(3+) Openeye Name: 2-(2,4-difluorobenzene-6-id-1-yl)benzotriazole; iridium(3+) CAS Name: 2-(2,4-difluoro-1-benzene-6-idyl)benzotriazole; iridium(3+) IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)benzotriazole; iridium(3+) Traditional Name: 2-(2,4-difluorobenzene-6-id-1-yl)benzotriazole; iridium(3+) Formula: C36H18F6IrN9 MolecularWeight: 882.795839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C12H6F2N3.Ir/c3*13-8-5-6-12(9(14)7-8)17-15-10-3-1-2-4-11(10)16-17;/h3*1-5,7H;/q3*-1;+3