[phenyl(phosphanyl)azaniumyl]azanide

C6H9N2P — CID 163721930

IUPAC[phenyl(phosphanyl)azaniumyl]azanide
SMILES[NH-][NH+](P)c1ccccc1
InChIInChI=1S/C6H9N2P/c7-8(9)6-4-2-1-3-5-6/h1-5,7-8H,9H2
InChIKeyKSHQOETZXDSWBA-UHFFFAOYSA-N
MW140.13 g/mol
LogP0.96
Rot. Bonds1

About [phenyl(phosphanyl)azaniumyl]azanide

[phenyl(phosphanyl)azaniumyl]azanide (PubChem CID 163721930) has the molecular formula C6H9N2P and a molecular weight of 140.13 g/mol. Its IUPAC name is [phenyl(phosphanyl)azaniumyl]azanide.

Molecular Properties

Compound Name[phenyl(phosphanyl)azaniumyl]azanide
PubChem CID163721930
Molecular FormulaC6H9N2P
Molecular Weight140.13 g/mol
Exact Mass140.05
IUPAC Name[phenyl(phosphanyl)azaniumyl]azanide
SMILES[NH-][NH+](P)c1ccccc1
InChIInChI=1S/C6H9N2P/c7-8(9)6-4-2-1-3-5-6/h1-5,7-8H,9H2
InChIKeyKSHQOETZXDSWBA-UHFFFAOYSA-N
XLogP0.96
TPSA28.24 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.13
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(diphenylazaniumyl)azanide
CID 163421119
bromobenzene;hydroiodide
CID 161399395
N-methylbenzeneamine oxide
CID 87928145
1,1'-biphenyl;hydroiodide
CID 66586334
methylsilyl(diphenyl)azanium
CID 173021835
(dimethyl(phenyl)azanium);dodecaborate
CID 139692201
phenylphosphane
CID 160937143
bromo(413C)cyclohexatriene
CID 66995401
bromo(113C)cyclohexatriene
CID 11094888
bis(hydroxymethyl)-methyl-phenylphosphanium
CID 3061532
bromobenzene;trihydrofluoride
CID 173004651
CID 159525408
CID 159525408

Frequently Asked Questions

What is the IUPAC name of [phenyl(phosphanyl)azaniumyl]azanide?
The IUPAC name of [phenyl(phosphanyl)azaniumyl]azanide (CID 163721930) is [phenyl(phosphanyl)azaniumyl]azanide.
What is the SMILES notation for [phenyl(phosphanyl)azaniumyl]azanide?
The canonical SMILES for [phenyl(phosphanyl)azaniumyl]azanide is [NH-][NH+](P)c1ccccc1.
What is the InChIKey of [phenyl(phosphanyl)azaniumyl]azanide?
The InChIKey is KSHQOETZXDSWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N2P/c7-8(9)6-4-2-1-3-5-6/h1-5,7-8H,9H2.
What are the key properties of [phenyl(phosphanyl)azaniumyl]azanide?
[phenyl(phosphanyl)azaniumyl]azanide has a molecular weight of 140.13 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(phosphanyl)azaniumyl]azanide is sourced from PubChem (CID 163721930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).