hafnium(4+); methanidylbenzene; [(1-methanidyl-6-naphthalen-1-yl-pyridin-1-ium-2-yl)-(2-phenylphenyl)methyl]-(4-propan-2-ylphenyl)azanide

Systemtic Name: hafnium(4+); methanidylbenzene; [(1-methanidyl-6-naphthalen-1-yl-pyridin-1-ium-2-yl)-(2-phenylphenyl)methyl]-(4-propan-2-ylphenyl)azanide Openeye Name: hafnium(4+); (4-isopropylphenyl)-[[1-methanidyl-6-(1-naphthyl)pyridin-1-ium-2-yl]-(2-phenylphenyl)methyl]azanide; methanidylbenzene CAS Name: hafnium(4+); methanidylbenzene; [[1-methanidyl-6-(1-naphthalenyl)-2-pyridin-1-iumyl]-(2-phenylphenyl)methyl]-(4-propan-2-ylphenyl)azanide IUPAC Name: hafnium(4+); methanidylbenzene; [(1-methanidyl-6-naphthalen-1-ylpyridin-1-ium-2-yl)-(2-phenylphenyl)methyl]-(4-propan-2-ylphenyl)azanide Traditional Name: hafnium(4+); methanidylbenzene; [[1-methanidyl-6-(1-naphthyl)pyridin-1-ium-2-yl]-(2-phenylphenyl)methyl]-p-cumenyl-azanide Formula: C59H54HfN2 MolecularWeight: 969.56346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)[N-]C(C2=CC=CC=C2C3=CC=CC=C3)C4=CC=CC(=[N+]4[CH2-])C5=CC=CC6=CC=CC=C65.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Hf+4]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[N-]C(C2=CC=CC=C2C3=CC=CC=C3)C4=CC=CC(=[N+]4[CH2-])C5=CC=CC6=CC=CC=C65.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Hf+4]

InChI

InChI=1S/C38H33N2.3C7H7.Hf/c1-27(2)28-23-25-31(26-24-28)39-38(35-19-10-9-18-33(35)29-13-5-4-6-14-29)37-22-12-21-36(40(37)3)34-20-11-16-30-15-7-8-17-32(30)34;3*1-7-5-3-2-4-6-7;/h4-27,38H,3H2,1-2H3;3*2-6H,1H2;/q4*-1;+4