(4-cyclopent-2-en-1-yl-4-methyl-1-phenyl-2-pyridin-2-yl-pentan-2-yl)-[2,6-di(propan-2-yl)phenyl]azanide; methanidylbenzene; zirconium

Systemtic Name: (4-cyclopent-2-en-1-yl-4-methyl-1-phenyl-2-pyridin-2-yl-pentan-2-yl)-[2,6-di(propan-2-yl)phenyl]azanide; methanidylbenzene; zirconium Openeye Name: [1-benzyl-3-cyclopent-2-en-1-yl-3-methyl-1-(2-pyridyl)butyl]-(2,6-diisopropylphenyl)azanide; methanidylbenzene; zirconium CAS Name: [4-(1-cyclopent-2-enyl)-4-methyl-1-phenyl-2-(2-pyridinyl)pentan-2-yl]-[2,6-di(propan-2-yl)phenyl]azanide; methanidylbenzene; zirconium IUPAC Name: (4-cyclopent-2-en-1-yl-4-methyl-1-phenyl-2-pyridin-2-ylpentan-2-yl)-[2,6-di(propan-2-yl)phenyl]azanide; methanidylbenzene; zirconium Traditional Name: [1-benzyl-3-cyclopent-2-en-1-yl-3-methyl-1-(2-pyridyl)butyl]-(2,6-diisopropylphenyl)azanide; methanidylbenzene; zirconium Formula: C55H64N2Zr-4 MolecularWeight: 844.33406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)[N-]C(CC2=CC=CC=C2)(CC(C)(C)C3CCC=C3)C4=CC=CC=N4.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)[N-]C(CC2=CC=CC=C2)(CC(C)(C)C3CCC=C3)C4=CC=CC=N4.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr]

InChI

InChI=1S/C34H43N2.3C7H7.Zr/c1-25(2)29-19-14-20-30(26(3)4)32(29)36-34(31-21-12-13-22-35-31,23-27-15-8-7-9-16-27)24-33(5,6)28-17-10-11-18-28;3*1-7-5-3-2-4-6-7;/h7-10,12-17,19-22,25-26,28H,11,18,23-24H2,1-6H3;3*2-6H,1H2;/q4*-1;