2-(4-diphenylphosphanylphenyl)pentanenitrile

C23H22NP — CID 19796771

IUPAC2-(4-diphenylphosphanylphenyl)pentanenitrile
SMILESCCCC(C#N)c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22NP/c1-2-9-20(18-24)19-14-16-23(17-15-19)25(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-17,20H,2,9H2,1H3
InChIKeyMGMKJKCMYJPSKA-UHFFFAOYSA-N
MW343.41 g/mol
LogP4.85
Rot. Bonds6

About 2-(4-diphenylphosphanylphenyl)pentanenitrile

2-(4-diphenylphosphanylphenyl)pentanenitrile (PubChem CID 19796771) has the molecular formula C23H22NP and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-(4-diphenylphosphanylphenyl)pentanenitrile.

Molecular Properties

Compound Name2-(4-diphenylphosphanylphenyl)pentanenitrile
PubChem CID19796771
Molecular FormulaC23H22NP
Molecular Weight343.41 g/mol
Exact Mass343.15
IUPAC Name2-(4-diphenylphosphanylphenyl)pentanenitrile
SMILESCCCC(C#N)c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22NP/c1-2-9-20(18-24)19-14-16-23(17-15-19)25(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-17,20H,2,9H2,1H3
InChIKeyMGMKJKCMYJPSKA-UHFFFAOYSA-N
XLogP4.85
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 54.85
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

Diphenylacetonitrile
CID 6837
Phosphine, tris(4-methylphenyl)-
CID 13956
(1,1'-Biphenyl)-4-carbonitrile, 4'-hexyl-
CID 38764
alpha-(Diphenylmethylene)benzeneacetonitrile
CID 22743
Triphenylmethane
CID 10614
2-Phenylpropionitrile
CID 15761
4'-Octyl-4-cyanobiphenyl
CID 104289
Benzeneacetonitrile, alpha-ethyl-
CID 95334
2-Phenylhexanenitrile
CID 97799
4-(4-Propylcyclohexyl)benzonitrile
CID 109061
2,3-Diphenylpropiononitrile
CID 95296
3,3-Diphenylpropiononitrile
CID 75295

Frequently Asked Questions

What is the IUPAC name of 2-(4-diphenylphosphanylphenyl)pentanenitrile?
The IUPAC name of 2-(4-diphenylphosphanylphenyl)pentanenitrile (CID 19796771) is 2-(4-diphenylphosphanylphenyl)pentanenitrile.
What is the SMILES notation for 2-(4-diphenylphosphanylphenyl)pentanenitrile?
The canonical SMILES for 2-(4-diphenylphosphanylphenyl)pentanenitrile is CCCC(C#N)c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-diphenylphosphanylphenyl)pentanenitrile?
The InChIKey is MGMKJKCMYJPSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22NP/c1-2-9-20(18-24)19-14-16-23(17-15-19)25(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-17,20H,2,9H2,1H3.
What are the key properties of 2-(4-diphenylphosphanylphenyl)pentanenitrile?
2-(4-diphenylphosphanylphenyl)pentanenitrile has a molecular weight of 343.41 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-diphenylphosphanylphenyl)pentanenitrile is sourced from PubChem (CID 19796771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).