2-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile

C24H16N2 — CID 19982710

IUPAC2-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2ccc(/C=C/c3ccccc3C#N)cc2)cc1
InChIInChI=1S/C24H16N2/c25-17-22-13-11-20(12-14-22)6-5-19-7-9-21(10-8-19)15-16-23-3-1-2-4-24(23)18-26/h1-16H/b6-5+,16-15+
InChIKeyOQVQNTRMZCGXIB-ICYHVJMASA-N
MW332.41 g/mol
LogP5.77
Rot. Bonds4

About 2-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile

2-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile (PubChem CID 19982710) has the molecular formula C24H16N2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile.

Molecular Properties

Compound Name2-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile
PubChem CID19982710
Molecular FormulaC24H16N2
Molecular Weight332.41 g/mol
Exact Mass332.13
IUPAC Name2-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2ccc(/C=C/c3ccccc3C#N)cc2)cc1
InChIInChI=1S/C24H16N2/c25-17-22-13-11-20(12-14-22)6-5-19-7-9-21(10-8-19)15-16-23-3-1-2-4-24(23)18-26/h1-16H/b6-5+,16-15+
InChIKeyOQVQNTRMZCGXIB-ICYHVJMASA-N
XLogP5.77
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.41
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile?
The IUPAC name of 2-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile (CID 19982710) is 2-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile.
What is the SMILES notation for 2-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile?
The canonical SMILES for 2-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile is N#Cc1ccc(/C=C/c2ccc(/C=C/c3ccccc3C#N)cc2)cc1.
What is the InChIKey of 2-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile?
The InChIKey is OQVQNTRMZCGXIB-ICYHVJMASA-N. The full InChI is InChI=1S/C24H16N2/c25-17-22-13-11-20(12-14-22)6-5-19-7-9-21(10-8-19)15-16-23-3-1-2-4-24(23)18-26/h1-16H/b6-5+,16-15+.
What are the key properties of 2-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile?
2-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile has a molecular weight of 332.41 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile is sourced from PubChem (CID 19982710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).