methanidylbenzene; 2-pyridin-2-ylpropan-2-yl-[2,3,5,6-tetramethyl-4-(2-pyridin-2-ylpropan-2-ylazanidyl)phenyl]azanide; zirconium

Systemtic Name: methanidylbenzene; 2-pyridin-2-ylpropan-2-yl-[2,3,5,6-tetramethyl-4-(2-pyridin-2-ylpropan-2-ylazanidyl)phenyl]azanide; zirconium Openeye Name: methanidylbenzene; [1-methyl-1-(2-pyridyl)ethyl]-[2,3,5,6-tetramethyl-4-[1-methyl-1-(2-pyridyl)ethyl]azanidyl-phenyl]azanide; zirconium CAS Name: methanidylbenzene; 2-(2-pyridinyl)propan-2-yl-[2,3,5,6-tetramethyl-4-[2-(2-pyridinyl)propan-2-ylazanidyl]phenyl]azanide; zirconium IUPAC Name: methanidylbenzene; 2-pyridin-2-ylpropan-2-yl-[2,3,5,6-tetramethyl-4-(2-pyridin-2-ylpropan-2-ylazanidyl)phenyl]azanide; zirconium Traditional Name: methanidylbenzene; [1-methyl-1-(2-pyridyl)ethyl]-[2,3,5,6-tetramethyl-4-[1-methyl-1-(2-pyridyl)ethyl]azanidyl-phenyl]azanide; zirconium Formula: C68H74N4Zr2-8 MolecularWeight: 1129.78996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1[N-]C(C)(C)C2=CC=CC=N2)C)C)[N-]C(C)(C)C3=CC=CC=N3)C.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr].[Zr]

Isomeric SMILES

CC1=C(C(=C(C(=C1[N-]C(C)(C)C2=CC=CC=N2)C)C)[N-]C(C)(C)C3=CC=CC=N3)C.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr].[Zr]

InChI

InChI=1S/C26H32N4.6C7H7.2Zr/c1-17-18(2)24(30-26(7,8)22-14-10-12-16-28-22)20(4)19(3)23(17)29-25(5,6)21-13-9-11-15-27-21;6*1-7-5-3-2-4-6-7;;/h9-16H,1-8H3;6*2-6H,1H2;;/q-2;6*-1;;