dimethylazanide; (2-ethyl-6-propan-2-yl-phenyl)-[(1-methanidyl-6-phenyl-pyridin-1-ium-2-yl)-phenanthren-9-yl-methyl]azanide; hafnium(4+)

Systemtic Name: dimethylazanide; (2-ethyl-6-propan-2-yl-phenyl)-[(1-methanidyl-6-phenyl-pyridin-1-ium-2-yl)-phenanthren-9-yl-methyl]azanide; hafnium(4+) Openeye Name: dimethylazanide; (2-ethyl-6-isopropyl-phenyl)-[(1-methanidyl-6-phenyl-pyridin-1-ium-2-yl)-(9-phenanthryl)methyl]azanide; hafnium(4+) CAS Name: dimethylazanide; (2-ethyl-6-propan-2-ylphenyl)-[(1-methanidyl-6-phenyl-2-pyridin-1-iumyl)-(9-phenanthrenyl)methyl]azanide; hafnium(4+) IUPAC Name: dimethylazanide; (2-ethyl-6-propan-2-ylphenyl)-[(1-methanidyl-6-phenylpyridin-1-ium-2-yl)-phenanthren-9-ylmethyl]azanide; hafnium(4+) Traditional Name: dimethylazanide; (2-ethyl-6-isopropyl-phenyl)-[(1-methanidyl-6-phenyl-pyridin-1-ium-2-yl)-(9-phenanthryl)methyl]azanide; hafnium(4+) Formula: C42H46HfN4 MolecularWeight: 785.33144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)C(C)C)[N-]C(C2=CC=CC(=[N+]2[CH2-])C3=CC=CC=[C-]3)C4=CC5=CC=CC=C5C6=CC=CC=C64.C[N-]C.C[N-]C.[Hf+4]

Isomeric SMILES

CCC1=C(C(=CC=C1)C(C)C)[N-]C(C2=CC=CC(=[N+]2[CH2-])C3=CC=CC=[C-]3)C4=CC5=CC=CC=C5C6=CC=CC=C64.C[N-]C.C[N-]C.[Hf+4]

InChI

InChI=1S/C38H34N2.2C2H6N.Hf/c1-5-27-18-13-22-30(26(2)3)37(27)39-38(36-24-14-23-35(40(36)4)28-15-7-6-8-16-28)34-25-29-17-9-10-19-31(29)32-20-11-12-21-33(32)34;2*1-3-2;/h6-15,17-26,38H,4-5H2,1-3H3;2*1-2H3;/q-2;2*-1;+4