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

Systemtic Name: hafnium(4+); methanidylbenzene; [(1-methanidyl-6-phenyl-pyridin-1-ium-2-yl)-phenyl-methyl]-(4-propan-2-ylphenyl)azanide Openeye Name: hafnium(4+); (4-isopropylphenyl)-[(1-methanidyl-6-phenyl-pyridin-1-ium-2-yl)-phenyl-methyl]azanide; methanidylbenzene CAS Name: hafnium(4+); methanidylbenzene; [(1-methanidyl-6-phenyl-2-pyridin-1-iumyl)-phenylmethyl]-(4-propan-2-ylphenyl)azanide IUPAC Name: hafnium(4+); methanidylbenzene; [(1-methanidyl-6-phenylpyridin-1-ium-2-yl)-phenylmethyl]-(4-propan-2-ylphenyl)azanide Traditional Name: hafnium(4+); methanidylbenzene; [(1-methanidyl-6-phenyl-pyridin-1-ium-2-yl)-phenyl-methyl]-p-cumenyl-azanide Formula: C49H48HfN2 MolecularWeight: 843.40882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)[N-]C(C2=CC=CC=C2)C3=CC=CC(=[N+]3[CH2-])C4=CC=CC=C4.[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=C2)C3=CC=CC(=[N+]3[CH2-])C4=CC=CC=C4.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Hf+4]

InChI

InChI=1S/C28H27N2.3C7H7.Hf/c1-21(2)22-17-19-25(20-18-22)29-28(24-13-8-5-9-14-24)27-16-10-15-26(30(27)3)23-11-6-4-7-12-23;3*1-7-5-3-2-4-6-7;/h4-21,28H,3H2,1-2H3;3*2-6H,1H2;/q4*-1;+4