3-diphenylphosphanylpentanenitrile

C17H18NP — CID 10956491

IUPAC3-diphenylphosphanylpentanenitrile
SMILESCCC(CC#N)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18NP/c1-2-15(13-14-18)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15H,2,13H2,1H3
InChIKeyOEPMZHGSXYPAMU-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.81
Rot. Bonds5

About 3-diphenylphosphanylpentanenitrile

3-diphenylphosphanylpentanenitrile (PubChem CID 10956491) has the molecular formula C17H18NP and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-diphenylphosphanylpentanenitrile.

Molecular Properties

Compound Name3-diphenylphosphanylpentanenitrile
PubChem CID10956491
Molecular FormulaC17H18NP
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name3-diphenylphosphanylpentanenitrile
SMILESCCC(CC#N)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18NP/c1-2-15(13-14-18)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15H,2,13H2,1H3
InChIKeyOEPMZHGSXYPAMU-UHFFFAOYSA-N
XLogP3.81
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

diphenyl(1-phenylheptan-2-yl)phosphane
CID 139486900
1-diphenylphosphanylpentan-2-yl(diphenyl)phosphane
CID 20520952
3-ethyl-5-phenylpent-4-ynenitrile
CID 15355077
3-(benzenesulfinyl)pentanenitrile
CID 64690029
3-(1-phenylpropylamino)butanenitrile
CID 62306250
3-(N-ethylanilino)pentanenitrile
CID 174634114
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
methyl-phenyl-(1-phenylbutan-2-yl)phosphane;hydrobromide
CID 173436254
diphenyl(1-phenylphosphanylpropyl)phosphane
CID 173220506
diphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane
CID 10898452
1-[1-(dimethylamino)propyl-phenylphosphanyl]-N,N-dimethylpropan-1-amine
CID 70455787
3-[methyl(phenyl)phosphanyl]propanenitrile
CID 86160293

Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphanylpentanenitrile?
The IUPAC name of 3-diphenylphosphanylpentanenitrile (CID 10956491) is 3-diphenylphosphanylpentanenitrile.
What is the SMILES notation for 3-diphenylphosphanylpentanenitrile?
The canonical SMILES for 3-diphenylphosphanylpentanenitrile is CCC(CC#N)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-diphenylphosphanylpentanenitrile?
The InChIKey is OEPMZHGSXYPAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18NP/c1-2-15(13-14-18)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15H,2,13H2,1H3.
What are the key properties of 3-diphenylphosphanylpentanenitrile?
3-diphenylphosphanylpentanenitrile has a molecular weight of 267.31 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphanylpentanenitrile is sourced from PubChem (CID 10956491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).