4-[2-[4-[2-(2-methylphenyl)ethenyl]phenyl]ethenyl]benzonitrile

C24H19N — CID 142825891

IUPAC4-[2-[4-[2-(2-methylphenyl)ethenyl]phenyl]ethenyl]benzonitrile
SMILESCc1ccccc1C=Cc1ccc(C=Cc2ccc(C#N)cc2)cc1
InChIInChI=1S/C24H19N/c1-19-4-2-3-5-24(19)17-16-22-10-8-20(9-11-22)6-7-21-12-14-23(18-25)15-13-21/h2-17H,1H3
InChIKeyUVBWCUKMOJMSTL-UHFFFAOYSA-N
MW321.42 g/mol
LogP6.21
Rot. Bonds4

About 4-[2-[4-[2-(2-methylphenyl)ethenyl]phenyl]ethenyl]benzonitrile

4-[2-[4-[2-(2-methylphenyl)ethenyl]phenyl]ethenyl]benzonitrile (PubChem CID 142825891) has the molecular formula C24H19N and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-[2-[4-[2-(2-methylphenyl)ethenyl]phenyl]ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[4-[2-(2-methylphenyl)ethenyl]phenyl]ethenyl]benzonitrile
PubChem CID142825891
Molecular FormulaC24H19N
Molecular Weight321.42 g/mol
Exact Mass321.15
IUPAC Name4-[2-[4-[2-(2-methylphenyl)ethenyl]phenyl]ethenyl]benzonitrile
SMILESCc1ccccc1C=Cc1ccc(C=Cc2ccc(C#N)cc2)cc1
InChIInChI=1S/C24H19N/c1-19-4-2-3-5-24(19)17-16-22-10-8-20(9-11-22)6-7-21-12-14-23(18-25)15-13-21/h2-17H,1H3
InChIKeyUVBWCUKMOJMSTL-UHFFFAOYSA-N
XLogP6.21
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-(2-iodophenyl)ethenyl]benzonitrile
CID 66772066
4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 10857270
4-[(E)-2-[2,3-bis[(E)-2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 100941725
4-[(Z)-2-(2-methylphenyl)ethenyl]aniline
CID 58868755
2-[2-(4-cyanophenyl)ethenyl]benzoic acid
CID 54428539
4-[(E)-2-(2-nitrophenyl)ethenyl]benzonitrile
CID 155931404
4-prop-1-enylbenzonitrile
CID 68719840
4-[(E)-2-[2-(1,3-dioxoisoindol-2-yl)phenyl]ethenyl]benzonitrile
CID 122192266
4-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]-2,5-bis(N-phenylanilino)phenyl]ethenyl]benzonitrile
CID 102485481
2-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene-1,4-dicarbonitrile
CID 10497783
N,N-diethyl-2-[2-[4-[2-(2-methylphenyl)ethenyl]phenyl]ethenyl]aniline
CID 58518822
4-(2-dibenzofuran-3-ylethenyl)-3-methylbenzonitrile
CID 54352112

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(2-methylphenyl)ethenyl]phenyl]ethenyl]benzonitrile?
The IUPAC name of 4-[2-[4-[2-(2-methylphenyl)ethenyl]phenyl]ethenyl]benzonitrile (CID 142825891) is 4-[2-[4-[2-(2-methylphenyl)ethenyl]phenyl]ethenyl]benzonitrile.
What is the SMILES notation for 4-[2-[4-[2-(2-methylphenyl)ethenyl]phenyl]ethenyl]benzonitrile?
The canonical SMILES for 4-[2-[4-[2-(2-methylphenyl)ethenyl]phenyl]ethenyl]benzonitrile is Cc1ccccc1C=Cc1ccc(C=Cc2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[2-[4-[2-(2-methylphenyl)ethenyl]phenyl]ethenyl]benzonitrile?
The InChIKey is UVBWCUKMOJMSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N/c1-19-4-2-3-5-24(19)17-16-22-10-8-20(9-11-22)6-7-21-12-14-23(18-25)15-13-21/h2-17H,1H3.
What are the key properties of 4-[2-[4-[2-(2-methylphenyl)ethenyl]phenyl]ethenyl]benzonitrile?
4-[2-[4-[2-(2-methylphenyl)ethenyl]phenyl]ethenyl]benzonitrile has a molecular weight of 321.42 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(2-methylphenyl)ethenyl]phenyl]ethenyl]benzonitrile is sourced from PubChem (CID 142825891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).