2-[(E)-2-[4-[(E)-2-(3-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile

C24H16N2 — CID 6441374

IUPAC2-[(E)-2-[4-[(E)-2-(3-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile
SMILESN#Cc1cccc(/C=C/c2ccc(/C=C/c3ccccc3C#N)cc2)c1
InChIInChI=1S/C24H16N2/c25-17-22-5-3-4-21(16-22)13-12-19-8-10-20(11-9-19)14-15-23-6-1-2-7-24(23)18-26/h1-16H/b13-12+,15-14+
InChIKeyJRVKAPLKKVWGKU-SQIWNDBBSA-N
MW332.41 g/mol
LogP5.77
Rot. Bonds4

About 2-[(E)-2-[4-[(E)-2-(3-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile

2-[(E)-2-[4-[(E)-2-(3-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile (PubChem CID 6441374) has the molecular formula C24H16N2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[(E)-2-[4-[(E)-2-(3-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile.

Molecular Properties

Compound Name2-[(E)-2-[4-[(E)-2-(3-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile
PubChem CID6441374
Molecular FormulaC24H16N2
Molecular Weight332.41 g/mol
Exact Mass332.13
IUPAC Name2-[(E)-2-[4-[(E)-2-(3-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile
SMILESN#Cc1cccc(/C=C/c2ccc(/C=C/c3ccccc3C#N)cc2)c1
InChIInChI=1S/C24H16N2/c25-17-22-5-3-4-21(16-22)13-12-19-8-10-20(11-9-19)14-15-23-6-1-2-7-24(23)18-26/h1-16H/b13-12+,15-14+
InChIKeyJRVKAPLKKVWGKU-SQIWNDBBSA-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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Related Compounds

9-Cyanoanthracene
CID 14586
2-Cyano-4'-methylbiphenyl
CID 145512
1-Naphthalenecarbonitrile
CID 6846
3,4-Dimethylbenzonitrile
CID 89884
(1,1'-Biphenyl)-4-carbonitrile, 4'-hexyl-
CID 38764
1-Naphthaleneacetonitrile
CID 8596
(1,1'-Biphenyl)-4,4'-dicarbonitrile
CID 15321
(1,1'-Biphenyl)-4-carbonitrile
CID 18021
alpha-(Diphenylmethylene)benzeneacetonitrile
CID 22743
9-Phenanthrenecarbonitrile
CID 17279
(1,1'-Biphenyl)-2-carbonitrile
CID 141162
2-Naphthalenecarbonitrile
CID 11944

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-[(E)-2-(3-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile?
The IUPAC name of 2-[(E)-2-[4-[(E)-2-(3-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile (CID 6441374) is 2-[(E)-2-[4-[(E)-2-(3-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile.
What is the SMILES notation for 2-[(E)-2-[4-[(E)-2-(3-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile?
The canonical SMILES for 2-[(E)-2-[4-[(E)-2-(3-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile is N#Cc1cccc(/C=C/c2ccc(/C=C/c3ccccc3C#N)cc2)c1.
What is the InChIKey of 2-[(E)-2-[4-[(E)-2-(3-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile?
The InChIKey is JRVKAPLKKVWGKU-SQIWNDBBSA-N. The full InChI is InChI=1S/C24H16N2/c25-17-22-5-3-4-21(16-22)13-12-19-8-10-20(11-9-19)14-15-23-6-1-2-7-24(23)18-26/h1-16H/b13-12+,15-14+.
What are the key properties of 2-[(E)-2-[4-[(E)-2-(3-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile?
2-[(E)-2-[4-[(E)-2-(3-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-(3-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile is sourced from PubChem (CID 6441374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).