3,4-diphenylbutanenitrile

C16H15N — CID 57019380

IUPAC3,4-diphenylbutanenitrile
SMILESN#CCC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H15N/c17-12-11-16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,16H,11,13H2
InChIKeyYXLSDQNDCLOXDK-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.93
Rot. Bonds4

About 3,4-diphenylbutanenitrile

3,4-diphenylbutanenitrile (PubChem CID 57019380) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 3,4-diphenylbutanenitrile.

Molecular Properties

Compound Name3,4-diphenylbutanenitrile
PubChem CID57019380
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name3,4-diphenylbutanenitrile
SMILESN#CCC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H15N/c17-12-11-16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,16H,11,13H2
InChIKeyYXLSDQNDCLOXDK-UHFFFAOYSA-N
XLogP3.93
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-diphenylpropan-2-ylbenzene;2-phenylethylbenzene
CID 159042556
6-amino-3-phenylhexanenitrile
CID 82404876
4-[3-(4-aminophenyl)-2-phenylpropyl]aniline
CID 175589044
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
(3R)-3-benzyl-4-hydroxybutanenitrile
CID 11126787
(3R)-5-oxo-3-phenylhexanenitrile
CID 134857504
3-phenyl-5-sulfanylidenehexanenitrile
CID 147282192
(3S)-3-(methylamino)-4-phenylbutanenitrile;hydrochloride
CID 67248079
(3R,4S)-4-amino-3-hydroxy-5-phenylpentanenitrile
CID 70364729
3-(methylamino)-4-phenylbutanenitrile;hydrochloride
CID 67248080
(3R)-4-hydroxy-3-(4-phenylmethoxyphenyl)butanenitrile
CID 142968538
1-phenyl-4-(2-phenylbutyl)benzene
CID 57285163

Frequently Asked Questions

What is the IUPAC name of 3,4-diphenylbutanenitrile?
The IUPAC name of 3,4-diphenylbutanenitrile (CID 57019380) is 3,4-diphenylbutanenitrile.
What is the SMILES notation for 3,4-diphenylbutanenitrile?
The canonical SMILES for 3,4-diphenylbutanenitrile is N#CCC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 3,4-diphenylbutanenitrile?
The InChIKey is YXLSDQNDCLOXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c17-12-11-16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,16H,11,13H2.
What are the key properties of 3,4-diphenylbutanenitrile?
3,4-diphenylbutanenitrile has a molecular weight of 221.30 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenylbutanenitrile is sourced from PubChem (CID 57019380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).