2-[4-phenyl-4-(trifluoromethyl)-1H-inden-1-id-2-yl]pyridine; zirconium(2+)

Systemtic Name: 2-[4-phenyl-4-(trifluoromethyl)-1H-inden-1-id-2-yl]pyridine; zirconium(2+) Openeye Name: 2-[4-phenyl-4-(trifluoromethyl)-1H-inden-1-id-2-yl]pyridine; zirconium(2+) CAS Name: 2-[4-phenyl-4-(trifluoromethyl)-1H-inden-1-id-2-yl]pyridine; zirconium(2+) IUPAC Name: 2-[4-phenyl-4-(trifluoromethyl)-1H-inden-1-id-2-yl]pyridine; zirconium(2+) Traditional Name: 2-[4-phenyl-4-(trifluoromethyl)-1H-inden-1-id-2-yl]pyridine; zirconium(2+) Formula: C42H26F6N2Zr MolecularWeight: 763.883659

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C=CC=C3C2=CC(=[C-]3)C4=CC=CC=N4)C(F)(F)F.C1=CC=C(C=C1)C2(C=CC=C3C2=CC(=[C-]3)C4=CC=CC=N4)C(F)(F)F.[Zr+2]

Isomeric SMILES

C1=CC=C(C=C1)C2(C=CC=C3C2=CC(=[C-]3)C4=CC=CC=N4)C(F)(F)F.C1=CC=C(C=C1)C2(C=CC=C3C2=CC(=[C-]3)C4=CC=CC=N4)C(F)(F)F.[Zr+2]

InChI

InChI=1S/2C21H13F3N.Zr/c2*22-21(23,24)20(17-8-2-1-3-9-17)11-6-7-15-13-16(14-18(15)20)19-10-4-5-12-25-19;/h2*1-12,14H;/q2*-1;+2