2-(2-fluoranylbenzene-6-id-1-yl)benzotriazole; iridium(3+); pentane-2,4-dione

Systemtic Name: 2-(2-fluoranylbenzene-6-id-1-yl)benzotriazole; iridium(3+); pentane-2,4-dione Openeye Name: 2-(2-fluorobenzene-6-id-1-yl)benzotriazole; iridium(3+); pentane-2,4-dione CAS Name: 2-(2-fluoro-1-benzene-6-idyl)benzotriazole; iridium(3+); pentane-2,4-dione IUPAC Name: 2-(2-fluorobenzene-6-id-1-yl)benzotriazole; iridium(3+); pentane-2,4-dione Traditional Name: 2-(2-fluorobenzene-6-id-1-yl)benzotriazole; iridium(3+); pentane-2,4-dione Formula: C29H22F2IrN6O2+ MolecularWeight: 716.737786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)C.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

CC(=O)CC(=O)C.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/2C12H7FN3.C5H8O2.Ir/c2*13-9-5-1-4-8-12(9)16-14-10-6-2-3-7-11(10)15-16;1-4(6)3-5(2)7;/h2*1-7H;3H2,1-2H3;/q2*-1;;+3