2-[(4-cyanophenyl)methyl]-2-phenylpropanedinitrile

C17H11N3 — CID 74221716

IUPAC2-[(4-cyanophenyl)methyl]-2-phenylpropanedinitrile
SMILESN#Cc1ccc(CC(C#N)(C#N)c2ccccc2)cc1
InChIInChI=1S/C17H11N3/c18-11-15-8-6-14(7-9-15)10-17(12-19,13-20)16-4-2-1-3-5-16/h1-9H,10H2
InChIKeyUJFWNGFIDSWNMT-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.09
Rot. Bonds3

About 2-[(4-cyanophenyl)methyl]-2-phenylpropanedinitrile

2-[(4-cyanophenyl)methyl]-2-phenylpropanedinitrile (PubChem CID 74221716) has the molecular formula C17H11N3 and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methyl]-2-phenylpropanedinitrile.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methyl]-2-phenylpropanedinitrile
PubChem CID74221716
Molecular FormulaC17H11N3
Molecular Weight257.30 g/mol
Exact Mass257.10
IUPAC Name2-[(4-cyanophenyl)methyl]-2-phenylpropanedinitrile
SMILESN#Cc1ccc(CC(C#N)(C#N)c2ccccc2)cc1
InChIInChI=1S/C17H11N3/c18-11-15-8-6-14(7-9-15)10-17(12-19,13-20)16-4-2-1-3-5-16/h1-9H,10H2
InChIKeyUJFWNGFIDSWNMT-UHFFFAOYSA-N
XLogP3.09
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanedinitrile
CID 74221714
4-(2-cyano-2-methylpropyl)benzonitrile
CID 11830101
tetrakis(benzonitrile);palladium(2+);dichloride
CID 173091067
2-(4-cyanophenyl)-2-methyl-3-phenylpropanoic acid
CID 117048107
(14N)benzonitrile
CID 102268532
4-(8-phenyloctyl)benzonitrile
CID 21257462
3-(4-chlorophenyl)-2,2-diphenylpropanenitrile
CID 2442406
4-(2-oxo-1,1-diphenylethyl)benzonitrile
CID 21416520
(2S)-3-[4-[(2R)-2-cyano-2-phenyl-2-pyridin-2-ylethyl]phenyl]-2-phenyl-2-pyridin-2-ylpropanenitrile
CID 92530275
2-(4-cyanophenyl)ethyl-triphenylphosphanium chloride
CID 88504587
4-[1-(4-methylphenyl)-1-phenylpropyl]benzonitrile
CID 134172030
4-(anilinomethyl)benzonitrile
CID 11148468

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methyl]-2-phenylpropanedinitrile?
The IUPAC name of 2-[(4-cyanophenyl)methyl]-2-phenylpropanedinitrile (CID 74221716) is 2-[(4-cyanophenyl)methyl]-2-phenylpropanedinitrile.
What is the SMILES notation for 2-[(4-cyanophenyl)methyl]-2-phenylpropanedinitrile?
The canonical SMILES for 2-[(4-cyanophenyl)methyl]-2-phenylpropanedinitrile is N#Cc1ccc(CC(C#N)(C#N)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methyl]-2-phenylpropanedinitrile?
The InChIKey is UJFWNGFIDSWNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3/c18-11-15-8-6-14(7-9-15)10-17(12-19,13-20)16-4-2-1-3-5-16/h1-9H,10H2.
What are the key properties of 2-[(4-cyanophenyl)methyl]-2-phenylpropanedinitrile?
2-[(4-cyanophenyl)methyl]-2-phenylpropanedinitrile has a molecular weight of 257.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methyl]-2-phenylpropanedinitrile is sourced from PubChem (CID 74221716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).