2-(4-fluoranylbenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine; iridium

Systemtic Name: 2-(4-fluoranylbenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine; iridium Openeye Name: 2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine; iridium CAS Name: 2-(4-fluoro-1-benzene-6-idyl)-5-(trifluoromethyl)pyridine; iridium IUPAC Name: 2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine; iridium Traditional Name: 2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine; iridium Formula: C36H18F12IrN3-3 MolecularWeight: 912.746058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1C(F)(F)F)C2=CC=C(C=[C-]2)F.C1=CC(=NC=C1C(F)(F)F)C2=CC=C(C=[C-]2)F.C1=CC(=NC=C1C(F)(F)F)C2=CC=C(C=[C-]2)F.[Ir]

Isomeric SMILES

C1=CC(=NC=C1C(F)(F)F)C2=CC=C(C=[C-]2)F.C1=CC(=NC=C1C(F)(F)F)C2=CC=C(C=[C-]2)F.C1=CC(=NC=C1C(F)(F)F)C2=CC=C(C=[C-]2)F.[Ir]

InChI

InChI=1S/3C12H6F4N.Ir/c3*13-10-4-1-8(2-5-10)11-6-3-9(7-17-11)12(14,15)16;/h3*1,3-7H;/q3*-1;