iridium(3+); 2-[2-(trifluoromethyl)benzene-6-id-1-yl]benzotriazole

Systemtic Name: iridium(3+); 2-[2-(trifluoromethyl)benzene-6-id-1-yl]benzotriazole Openeye Name: iridium(3+); 2-[2-(trifluoromethyl)benzene-6-id-1-yl]benzotriazole CAS Name: iridium(3+); 2-[2-(trifluoromethyl)-1-benzene-6-idyl]benzotriazole IUPAC Name: iridium(3+); 2-[2-(trifluoromethyl)benzene-6-id-1-yl]benzotriazole Traditional Name: iridium(3+); 2-[2-(trifluoromethyl)benzene-6-id-1-yl]benzotriazole Formula: C39H21F9IrN9 MolecularWeight: 978.846969

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C13H7F3N3.Ir/c3*14-13(15,16)9-5-1-4-8-12(9)19-17-10-6-2-3-7-11(10)18-19;/h3*1-7H;/q3*-1;+3