2-(3-fluoranylbenzene-5-id-1-yl)benzotriazole; iridium(3+); pyridine-2-carboxylate

Systemtic Name: 2-(3-fluoranylbenzene-5-id-1-yl)benzotriazole; iridium(3+); pyridine-2-carboxylate Openeye Name: 2-(3-fluorobenzene-5-id-1-yl)benzotriazole; iridium(3+); pyridine-2-carboxylate CAS Name: 2-(3-fluoro-1-benzene-5-idyl)benzotriazole; iridium(3+); 2-pyridinecarboxylate IUPAC Name: 2-(3-fluorobenzene-5-id-1-yl)benzotriazole; iridium(3+); pyridine-2-carboxylate Traditional Name: 2-(3-fluorobenzene-5-id-1-yl)benzotriazole; iridium(3+); picolinate Formula: C30H18F2IrN7O2 MolecularWeight: 738.723426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H7FN3.C6H5NO2.Ir/c2*13-9-4-3-5-10(8-9)16-14-11-6-1-2-7-12(11)15-16;8-6(9)5-3-1-2-4-7-5;/h2*1-2,4-8H;1-4H,(H,8,9);/q2*-1;;+3/p-1