4-(4-ethylphenyl)-3-phenylbenzonitrile

C21H17N — CID 46864016

IUPAC4-(4-ethylphenyl)-3-phenylbenzonitrile
SMILESCCc1ccc(-c2ccc(C#N)cc2-c2ccccc2)cc1
InChIInChI=1S/C21H17N/c1-2-16-8-11-19(12-9-16)20-13-10-17(15-22)14-21(20)18-6-4-3-5-7-18/h3-14H,2H2,1H3
InChIKeyYPKJRPLDMZZFRG-UHFFFAOYSA-N
MW283.37 g/mol
LogP5.45
Rot. Bonds3

About 4-(4-ethylphenyl)-3-phenylbenzonitrile

4-(4-ethylphenyl)-3-phenylbenzonitrile (PubChem CID 46864016) has the molecular formula C21H17N and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-3-phenylbenzonitrile.

Molecular Properties

Compound Name4-(4-ethylphenyl)-3-phenylbenzonitrile
PubChem CID46864016
Molecular FormulaC21H17N
Molecular Weight283.37 g/mol
Exact Mass283.14
IUPAC Name4-(4-ethylphenyl)-3-phenylbenzonitrile
SMILESCCc1ccc(-c2ccc(C#N)cc2-c2ccccc2)cc1
InChIInChI=1S/C21H17N/c1-2-16-8-11-19(12-9-16)20-13-10-17(15-22)14-21(20)18-6-4-3-5-7-18/h3-14H,2H2,1H3
InChIKeyYPKJRPLDMZZFRG-UHFFFAOYSA-N
XLogP5.45
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.37
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-4-(2-phenylphenyl)benzene;sulfane
CID 160558702
ethane;5-ethyl-2-phenylbenzonitrile
CID 145394501
4-[5-butyl-2-(3-fluorophenyl)phenyl]benzonitrile
CID 67726210
N-[4-(4-ethyl-2-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665820
2-(2-phenylphenyl)benzene-1,4-dicarbonitrile
CID 126496747
4-ethylbenzonitrile;fluoromethane
CID 143083977
1-(4-ethylphenyl)-3,5-diphenylbenzene
CID 123998830
4-fluoro-3-phenylbenzonitrile
CID 46314741
4-tert-butyl-3-phenylbenzonitrile
CID 90264086
acetylene;1-ethyl-4-phenylbenzene
CID 175126841
ethane;1-ethyl-4-phenylbenzene;methane
CID 142852812
2-[2-[4-(3,5-diphenylphenyl)phenyl]-5-ethylphenyl]naphthalene
CID 142356048

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-3-phenylbenzonitrile?
The IUPAC name of 4-(4-ethylphenyl)-3-phenylbenzonitrile (CID 46864016) is 4-(4-ethylphenyl)-3-phenylbenzonitrile.
What is the SMILES notation for 4-(4-ethylphenyl)-3-phenylbenzonitrile?
The canonical SMILES for 4-(4-ethylphenyl)-3-phenylbenzonitrile is CCc1ccc(-c2ccc(C#N)cc2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-3-phenylbenzonitrile?
The InChIKey is YPKJRPLDMZZFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N/c1-2-16-8-11-19(12-9-16)20-13-10-17(15-22)14-21(20)18-6-4-3-5-7-18/h3-14H,2H2,1H3.
What are the key properties of 4-(4-ethylphenyl)-3-phenylbenzonitrile?
4-(4-ethylphenyl)-3-phenylbenzonitrile has a molecular weight of 283.37 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-3-phenylbenzonitrile is sourced from PubChem (CID 46864016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).