2-(4-tert-butyl-2-phenyl-inden-1-id-1-yl)pyridine; carbanide; zirconium(4+)

Systemtic Name: 2-(4-tert-butyl-2-phenyl-inden-1-id-1-yl)pyridine; carbanide; zirconium(4+) Openeye Name: 2-(4-tert-butyl-2-phenyl-inden-1-id-1-yl)pyridine; carbanide; zirconium(4+) CAS Name: 2-(4-tert-butyl-2-phenyl-1-inden-1-idyl)pyridine; carbanide; zirconium(4+) IUPAC Name: 2-(4-tert-butyl-2-phenylinden-1-id-1-yl)pyridine; carbanide; zirconium(4+) Traditional Name: 2-(4-tert-butyl-2-phenyl-inden-1-id-1-yl)pyridine; carbanide; zirconium(4+) Formula: C50H50N2Zr MolecularWeight: 770.1694

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].CC(C)(C)C1=CC=CC2=C1C=C([C-]2C3=CC=CC=N3)C4=CC=CC=C4.CC(C)(C)C1=CC=CC2=C1C=C([C-]2C3=CC=CC=N3)C4=CC=CC=C4.[Zr+4]

Isomeric SMILES

[CH3-].[CH3-].CC(C)(C)C1=CC=CC2=C1C=C([C-]2C3=CC=CC=N3)C4=CC=CC=C4.CC(C)(C)C1=CC=CC2=C1C=C([C-]2C3=CC=CC=N3)C4=CC=CC=C4.[Zr+4]

InChI

InChI=1S/2C24H22N.2CH3.Zr/c2*1-24(2,3)21-13-9-12-18-20(21)16-19(17-10-5-4-6-11-17)23(18)22-14-7-8-15-25-22;;;/h2*4-16H,1-3H3;2*1H3;/q4*-1;+4