carbanide;(2-ditert-butylphosphaniumylacetyl)-(2,6-dimethylphenyl)azanide;nickel(2+)

C19H33NNiOP+ — CID 23405276

IUPACcarbanide;(2-ditert-butylphosphaniumylacetyl)-(2,6-dimethylphenyl)azanide;nickel(2+)
SMILESCc1cccc(C)c1[N-]C(=O)C[PH+](C(C)(C)C)C(C)(C)C.[CH3-].[Ni+2]
InChIInChI=1S/C18H30NOP.CH3.Ni/c1-13-10-9-11-14(2)16(13)19-15(20)12-21(17(3,4)5)18(6,7)8;;/h9-11H,12H2,1-8H3,(H,19,20);1H3;/q;-1;+2
InChIKeyFHSZZICUNCQEGF-UHFFFAOYSA-N
MW381.15 g/mol
LogP6.09
Rot. Bonds3

About carbanide;(2-ditert-butylphosphaniumylacetyl)-(2,6-dimethylphenyl)azanide;nickel(2+)

carbanide;(2-ditert-butylphosphaniumylacetyl)-(2,6-dimethylphenyl)azanide;nickel(2+) (PubChem CID 23405276) has the molecular formula C19H33NNiOP+ and a molecular weight of 381.15 g/mol. Its IUPAC name is carbanide;(2-ditert-butylphosphaniumylacetyl)-(2,6-dimethylphenyl)azanide;nickel(2+).

Molecular Properties

Compound Namecarbanide;(2-ditert-butylphosphaniumylacetyl)-(2,6-dimethylphenyl)azanide;nickel(2+)
PubChem CID23405276
Molecular FormulaC19H33NNiOP+
Molecular Weight381.15 g/mol
Exact Mass380.16
IUPAC Namecarbanide;(2-ditert-butylphosphaniumylacetyl)-(2,6-dimethylphenyl)azanide;nickel(2+)
SMILESCc1cccc(C)c1[N-]C(=O)C[PH+](C(C)(C)C)C(C)(C)C.[CH3-].[Ni+2]
InChIInChI=1S/C18H30NOP.CH3.Ni/c1-13-10-9-11-14(2)16(13)19-15(20)12-21(17(3,4)5)18(6,7)8;;/h9-11H,12H2,1-8H3,(H,19,20);1H3;/q;-1;+2
InChIKeyFHSZZICUNCQEGF-UHFFFAOYSA-N
XLogP6.09
TPSA31.17 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.15
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;(2-ditert-butylphosphaniumylacetyl)-(2,6-dimethylphenyl)azanide;nickel(2+)?
The IUPAC name of carbanide;(2-ditert-butylphosphaniumylacetyl)-(2,6-dimethylphenyl)azanide;nickel(2+) (CID 23405276) is carbanide;(2-ditert-butylphosphaniumylacetyl)-(2,6-dimethylphenyl)azanide;nickel(2+).
What is the SMILES notation for carbanide;(2-ditert-butylphosphaniumylacetyl)-(2,6-dimethylphenyl)azanide;nickel(2+)?
The canonical SMILES for carbanide;(2-ditert-butylphosphaniumylacetyl)-(2,6-dimethylphenyl)azanide;nickel(2+) is Cc1cccc(C)c1[N-]C(=O)C[PH+](C(C)(C)C)C(C)(C)C.[CH3-].[Ni+2].
What is the InChIKey of carbanide;(2-ditert-butylphosphaniumylacetyl)-(2,6-dimethylphenyl)azanide;nickel(2+)?
The InChIKey is FHSZZICUNCQEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30NOP.CH3.Ni/c1-13-10-9-11-14(2)16(13)19-15(20)12-21(17(3,4)5)18(6,7)8;;/h9-11H,12H2,1-8H3,(H,19,20);1H3;/q;-1;+2.
What are the key properties of carbanide;(2-ditert-butylphosphaniumylacetyl)-(2,6-dimethylphenyl)azanide;nickel(2+)?
carbanide;(2-ditert-butylphosphaniumylacetyl)-(2,6-dimethylphenyl)azanide;nickel(2+) has a molecular weight of 381.15 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(2-ditert-butylphosphaniumylacetyl)-(2,6-dimethylphenyl)azanide;nickel(2+) is sourced from PubChem (CID 23405276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).