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

Systemtic Name: carbanide; 2-[4-phenyl-4-(trifluoromethyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+) Openeye Name: carbanide; 2-[4-phenyl-4-(trifluoromethyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+) CAS Name: carbanide; 2-[4-phenyl-4-(trifluoromethyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+) IUPAC Name: carbanide; 2-[4-phenyl-4-(trifluoromethyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+) Traditional Name: carbanide; 2-[4-phenyl-4-(trifluoromethyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+) Formula: C44H32F6N2Zr MolecularWeight: 793.952699

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].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+4]

Isomeric SMILES

[CH3-].[CH3-].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+4]

InChI

InChI=1S/2C21H13F3N.2CH3.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;2*1H3;/q4*-1;+4