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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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).