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

C24H16N2 — CID 6437806

IUPAC2-[(E)-2-[4-[(E)-2-(2-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile
SMILESN#Cc1ccccc1/C=C/c1ccc(/C=C/c2ccccc2C#N)cc1
InChIInChI=1S/C24H16N2/c25-17-23-7-3-1-5-21(23)15-13-19-9-11-20(12-10-19)14-16-22-6-2-4-8-24(22)18-26/h1-16H/b15-13+,16-14+
InChIKeyRBABXJPJIHMBBP-WXUKJITCSA-N
MW332.41 g/mol
LogP5.77
Rot. Bonds4

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

2-[(E)-2-[4-[(E)-2-(2-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile (PubChem CID 6437806) has the molecular formula C24H16N2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[(E)-2-[4-[(E)-2-(2-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile.

Molecular Properties

Compound Name2-[(E)-2-[4-[(E)-2-(2-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile
PubChem CID6437806
Molecular FormulaC24H16N2
Molecular Weight332.41 g/mol
Exact Mass332.13
IUPAC Name2-[(E)-2-[4-[(E)-2-(2-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile
SMILESN#Cc1ccccc1/C=C/c1ccc(/C=C/c2ccccc2C#N)cc1
InChIInChI=1S/C24H16N2/c25-17-23-7-3-1-5-21(23)15-13-19-9-11-20(12-10-19)14-16-22-6-2-4-8-24(22)18-26/h1-16H/b15-13+,16-14+
InChIKeyRBABXJPJIHMBBP-WXUKJITCSA-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-(2-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile?
The IUPAC name of 2-[(E)-2-[4-[(E)-2-(2-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile (CID 6437806) is 2-[(E)-2-[4-[(E)-2-(2-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile.
What is the SMILES notation for 2-[(E)-2-[4-[(E)-2-(2-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile?
The canonical SMILES for 2-[(E)-2-[4-[(E)-2-(2-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile is N#Cc1ccccc1/C=C/c1ccc(/C=C/c2ccccc2C#N)cc1.
What is the InChIKey of 2-[(E)-2-[4-[(E)-2-(2-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile?
The InChIKey is RBABXJPJIHMBBP-WXUKJITCSA-N. The full InChI is InChI=1S/C24H16N2/c25-17-23-7-3-1-5-21(23)15-13-19-9-11-20(12-10-19)14-16-22-6-2-4-8-24(22)18-26/h1-16H/b15-13+,16-14+.
What are the key properties of 2-[(E)-2-[4-[(E)-2-(2-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile?
2-[(E)-2-[4-[(E)-2-(2-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-(2-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile is sourced from PubChem (CID 6437806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).