(2E,4E)-2-(2-chlorophenyl)-5-phenylpenta-2,4-dienenitrile

C17H12ClN — CID 6440353

IUPAC(2E,4E)-2-(2-chlorophenyl)-5-phenylpenta-2,4-dienenitrile
SMILESN#C/C(=C/C=C/c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C17H12ClN/c18-17-12-5-4-11-16(17)15(13-19)10-6-9-14-7-2-1-3-8-14/h1-12H/b9-6+,15-10-
InChIKeyNBWHBAAWYGCURI-ZLRVCTSNSA-N
MW265.74 g/mol
LogP4.96
Rot. Bonds3

About (2E,4E)-2-(2-chlorophenyl)-5-phenylpenta-2,4-dienenitrile

(2E,4E)-2-(2-chlorophenyl)-5-phenylpenta-2,4-dienenitrile (PubChem CID 6440353) has the molecular formula C17H12ClN and a molecular weight of 265.74 g/mol. Its IUPAC name is (2E,4E)-2-(2-chlorophenyl)-5-phenylpenta-2,4-dienenitrile.

Molecular Properties

Compound Name(2E,4E)-2-(2-chlorophenyl)-5-phenylpenta-2,4-dienenitrile
PubChem CID6440353
Molecular FormulaC17H12ClN
Molecular Weight265.74 g/mol
Exact Mass265.07
IUPAC Name(2E,4E)-2-(2-chlorophenyl)-5-phenylpenta-2,4-dienenitrile
SMILESN#C/C(=C/C=C/c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C17H12ClN/c18-17-12-5-4-11-16(17)15(13-19)10-6-9-14-7-2-1-3-8-14/h1-12H/b9-6+,15-10-
InChIKeyNBWHBAAWYGCURI-ZLRVCTSNSA-N
XLogP4.96
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4E)-2-(2-chlorophenyl)-5-phenylpenta-2,4-dienenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-(2-chlorophenyl)-5-phenylpenta-2,4-dienenitrile?
The IUPAC name of (2E,4E)-2-(2-chlorophenyl)-5-phenylpenta-2,4-dienenitrile (CID 6440353) is (2E,4E)-2-(2-chlorophenyl)-5-phenylpenta-2,4-dienenitrile.
What is the SMILES notation for (2E,4E)-2-(2-chlorophenyl)-5-phenylpenta-2,4-dienenitrile?
The canonical SMILES for (2E,4E)-2-(2-chlorophenyl)-5-phenylpenta-2,4-dienenitrile is N#C/C(=C/C=C/c1ccccc1)c1ccccc1Cl.
What is the InChIKey of (2E,4E)-2-(2-chlorophenyl)-5-phenylpenta-2,4-dienenitrile?
The InChIKey is NBWHBAAWYGCURI-ZLRVCTSNSA-N. The full InChI is InChI=1S/C17H12ClN/c18-17-12-5-4-11-16(17)15(13-19)10-6-9-14-7-2-1-3-8-14/h1-12H/b9-6+,15-10-.
What are the key properties of (2E,4E)-2-(2-chlorophenyl)-5-phenylpenta-2,4-dienenitrile?
(2E,4E)-2-(2-chlorophenyl)-5-phenylpenta-2,4-dienenitrile has a molecular weight of 265.74 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-(2-chlorophenyl)-5-phenylpenta-2,4-dienenitrile is sourced from PubChem (CID 6440353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).