(4-tert-butylphenyl)methyl-[2-[2-[(4-tert-butylphenyl)methylazanidyl]-6-methyl-phenyl]-3-methyl-phenyl]azanide; methanidylbenzene; zirconium(4+)

Systemtic Name: (4-tert-butylphenyl)methyl-[2-[2-[(4-tert-butylphenyl)methylazanidyl]-6-methyl-phenyl]-3-methyl-phenyl]azanide; methanidylbenzene; zirconium(4+) Openeye Name: (4-tert-butylphenyl)methyl-[2-[2-[(4-tert-butylphenyl)methylazanidyl]-6-methyl-phenyl]-3-methyl-phenyl]azanide; methanidylbenzene; zirconium(4+) CAS Name: (4-tert-butylphenyl)methyl-[2-[2-[(4-tert-butylphenyl)methylazanidyl]-6-methylphenyl]-3-methylphenyl]azanide; methanidylbenzene; zirconium(4+) IUPAC Name: (4-tert-butylphenyl)methyl-[2-[2-[(4-tert-butylphenyl)methylazanidyl]-6-methylphenyl]-3-methylphenyl]azanide; methanidylbenzene; zirconium(4+) Traditional Name: (4-tert-butylbenzyl)-[2-[2-(4-tert-butylbenzyl)azanidyl-6-methyl-phenyl]-3-methyl-phenyl]azanide; methanidylbenzene; zirconium(4+) Formula: C50H56N2Zr MolecularWeight: 776.21704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N-]CC2=CC=C(C=C2)C(C)(C)C)C3=C(C=CC=C3[N-]CC4=CC=C(C=C4)C(C)(C)C)C.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr+4]

Isomeric SMILES

CC1=C(C(=CC=C1)[N-]CC2=CC=C(C=C2)C(C)(C)C)C3=C(C=CC=C3[N-]CC4=CC=C(C=C4)C(C)(C)C)C.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr+4]

InChI

InChI=1S/C36H42N2.2C7H7.Zr/c1-25-11-9-13-31(37-23-27-15-19-29(20-16-27)35(3,4)5)33(25)34-26(2)12-10-14-32(34)38-24-28-17-21-30(22-18-28)36(6,7)8;2*1-7-5-3-2-4-6-7;/h9-22H,23-24H2,1-8H3;2*2-6H,1H2;/q-2;2*-1;+4