4-(1,2-diphenylethyl)benzonitrile

C21H17N — CID 10039481

IUPAC4-(1,2-diphenylethyl)benzonitrile
SMILESN#Cc1ccc(C(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H17N/c22-16-18-11-13-20(14-12-18)21(19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-14,21H,15H2
InChIKeyBSZNVUYIDVUXHR-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.93
Rot. Bonds4

About 4-(1,2-diphenylethyl)benzonitrile

4-(1,2-diphenylethyl)benzonitrile (PubChem CID 10039481) has the molecular formula C21H17N and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-(1,2-diphenylethyl)benzonitrile.

Molecular Properties

Compound Name4-(1,2-diphenylethyl)benzonitrile
PubChem CID10039481
Molecular FormulaC21H17N
Molecular Weight283.37 g/mol
Exact Mass283.14
IUPAC Name4-(1,2-diphenylethyl)benzonitrile
SMILESN#Cc1ccc(C(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H17N/c22-16-18-11-13-20(14-12-18)21(19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-14,21H,15H2
InChIKeyBSZNVUYIDVUXHR-UHFFFAOYSA-N
XLogP4.93
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1,2-dibromo-2-phenylethyl)benzonitrile
CID 13431601
4-[(1R)-1-phenylethyl]benzonitrile
CID 118361850
4-(3-amino-2-phenylbutyl)benzonitrile
CID 22270471
4-(1-cyano-3-phenylpropyl)benzonitrile
CID 82137801
4-[1-(4-cyanophenyl)propyl]benzonitrile
CID 143564661
N-[1-(4-cyanophenyl)-2-phenylethyl]benzamide
CID 164679164
4-(N-(3-methyl-1-phenylbutan-2-yl)anilino)benzonitrile
CID 134926337
3-[(1R)-1-amino-2-phenylethyl]benzonitrile
CID 118518493
4-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]benzonitrile
CID 133328023
4-(4-oxo-1-phenylpentyl)benzonitrile
CID 162418446
4-[amino-[[amino(phenyl)methyl]amino]methyl]benzonitrile
CID 155017019
4-(2-cyano-3-phenylpropanoyl)benzonitrile
CID 59504813

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-diphenylethyl)benzonitrile?
The IUPAC name of 4-(1,2-diphenylethyl)benzonitrile (CID 10039481) is 4-(1,2-diphenylethyl)benzonitrile.
What is the SMILES notation for 4-(1,2-diphenylethyl)benzonitrile?
The canonical SMILES for 4-(1,2-diphenylethyl)benzonitrile is N#Cc1ccc(C(Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(1,2-diphenylethyl)benzonitrile?
The InChIKey is BSZNVUYIDVUXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N/c22-16-18-11-13-20(14-12-18)21(19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-14,21H,15H2.
What are the key properties of 4-(1,2-diphenylethyl)benzonitrile?
4-(1,2-diphenylethyl)benzonitrile has a molecular weight of 283.37 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-diphenylethyl)benzonitrile is sourced from PubChem (CID 10039481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).