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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)[N-]C(C2=CC=CC=C2)C3=CC=CC(=[N+]3[CH2-])C4=CC=CC=C4)C.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Hf+4]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)[N-]C(C2=CC=CC=C2)C3=CC=CC(=[N+]3[CH2-])C4=CC=CC=C4)C.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Hf+4]

InChI

InChI=1S/C28H27N2.3C7H7.Hf/c1-20-18-21(2)27(22(3)19-20)29-28(24-14-9-6-10-15-24)26-17-11-16-25(30(26)4)23-12-7-5-8-13-23;3*1-7-5-3-2-4-6-7;/h5-19,28H,4H2,1-3H3;3*2-6H,1H2;/q4*-1;+4