2,2-dimethylpropyl(phenyl)azanide; niobium(3+); (2,4,6-tritert-butylphenyl)iminophosphaniumylidenephosphanide

Systemtic Name: 2,2-dimethylpropyl(phenyl)azanide; niobium(3+); (2,4,6-tritert-butylphenyl)iminophosphaniumylidenephosphanide Openeye Name: 2,2-dimethylpropyl(phenyl)azanide; niobium(3+); (2,4,6-tritert-butylphenyl)iminophosphaniumylidenephosphanide CAS Name: 2,2-dimethylpropyl(phenyl)azanide; niobium(3+); (2,4,6-tritert-butylphenyl)iminophosphiniumylidenephosphanide IUPAC Name: 2,2-dimethylpropyl(phenyl)azanide; niobium(3+); (2,4,6-tritert-butylphenyl)iminophosphaniumylidenephosphanide Traditional Name: neopentyl(phenyl)azanide; niobium(3+); (2,4,6-tritert-butylphenyl)iminophosphiniumylidenephosphanide Formula: C51H77N4NbP2 MolecularWeight: 901.037782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[N-]C1=CC=CC=C1.CC(C)(C)C[N-]C1=CC=CC=C1.CC(C)(C)C[N-]C1=CC=CC=C1.CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)N=[P+]=[P-])C(C)(C)C.[Nb+3]

Isomeric SMILES

CC(C)(C)C[N-]C1=CC=CC=C1.CC(C)(C)C[N-]C1=CC=CC=C1.CC(C)(C)C[N-]C1=CC=CC=C1.CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)N=[P+]=[P-])C(C)(C)C.[Nb+3]

InChI

InChI=1S/C18H29NP2.3C11H16N.Nb/c1-16(2,3)12-10-13(17(4,5)6)15(19-21-20)14(11-12)18(7,8)9;3*1-11(2,3)9-12-10-7-5-4-6-8-10;/h10-11H,1-9H3;3*4-8H,9H2,1-3H3;/q;3*-1;+3