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

C22H15N3 — CID 101467306

IUPAC4-[(E)-2-[4-(4-cyanoanilino)phenyl]ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2ccc(Nc3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C22H15N3/c23-15-19-5-3-17(4-6-19)1-2-18-7-11-21(12-8-18)25-22-13-9-20(16-24)10-14-22/h1-14,25H/b2-1+
InChIKeyIDJNKAWRMOSKSV-OWOJBTEDSA-N
MW321.38 g/mol
LogP5.34
Rot. Bonds4

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

4-[(E)-2-[4-(4-cyanoanilino)phenyl]ethenyl]benzonitrile (PubChem CID 101467306) has the molecular formula C22H15N3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[(E)-2-[4-(4-cyanoanilino)phenyl]ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-2-[4-(4-cyanoanilino)phenyl]ethenyl]benzonitrile
PubChem CID101467306
Molecular FormulaC22H15N3
Molecular Weight321.38 g/mol
Exact Mass321.13
IUPAC Name4-[(E)-2-[4-(4-cyanoanilino)phenyl]ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2ccc(Nc3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C22H15N3/c23-15-19-5-3-17(4-6-19)1-2-18-7-11-21(12-8-18)25-22-13-9-20(16-24)10-14-22/h1-14,25H/b2-1+
InChIKeyIDJNKAWRMOSKSV-OWOJBTEDSA-N
XLogP5.34
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-(4-cyanoanilino)phenyl]ethenyl]benzonitrile?
The IUPAC name of 4-[(E)-2-[4-(4-cyanoanilino)phenyl]ethenyl]benzonitrile (CID 101467306) is 4-[(E)-2-[4-(4-cyanoanilino)phenyl]ethenyl]benzonitrile.
What is the SMILES notation for 4-[(E)-2-[4-(4-cyanoanilino)phenyl]ethenyl]benzonitrile?
The canonical SMILES for 4-[(E)-2-[4-(4-cyanoanilino)phenyl]ethenyl]benzonitrile is N#Cc1ccc(/C=C/c2ccc(Nc3ccc(C#N)cc3)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-(4-cyanoanilino)phenyl]ethenyl]benzonitrile?
The InChIKey is IDJNKAWRMOSKSV-OWOJBTEDSA-N. The full InChI is InChI=1S/C22H15N3/c23-15-19-5-3-17(4-6-19)1-2-18-7-11-21(12-8-18)25-22-13-9-20(16-24)10-14-22/h1-14,25H/b2-1+.
What are the key properties of 4-[(E)-2-[4-(4-cyanoanilino)phenyl]ethenyl]benzonitrile?
4-[(E)-2-[4-(4-cyanoanilino)phenyl]ethenyl]benzonitrile has a molecular weight of 321.38 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(4-cyanoanilino)phenyl]ethenyl]benzonitrile is sourced from PubChem (CID 101467306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).