(Z)-3-[4-[(Z)-2-cyano-2-phenylethenyl]phenyl]-2-phenylprop-2-enenitrile

C24H16N2 — CID 639983

IUPAC(Z)-3-[4-[(Z)-2-cyano-2-phenylethenyl]phenyl]-2-phenylprop-2-enenitrile
SMILESN#C/C(=C\c1ccc(/C=C(\C#N)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H16N2/c25-17-23(21-7-3-1-4-8-21)15-19-11-13-20(14-12-19)16-24(18-26)22-9-5-2-6-10-22/h1-16H/b23-15+,24-16+
InChIKeyWSDKHZCNLDFRFB-DFEHQXHXSA-N
MW332.41 g/mol
LogP5.81
Rot. Bonds4

About (Z)-3-[4-[(Z)-2-cyano-2-phenylethenyl]phenyl]-2-phenylprop-2-enenitrile

(Z)-3-[4-[(Z)-2-cyano-2-phenylethenyl]phenyl]-2-phenylprop-2-enenitrile (PubChem CID 639983) has the molecular formula C24H16N2 and a molecular weight of 332.41 g/mol. Its IUPAC name is (Z)-3-[4-[(Z)-2-cyano-2-phenylethenyl]phenyl]-2-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[4-[(Z)-2-cyano-2-phenylethenyl]phenyl]-2-phenylprop-2-enenitrile
PubChem CID639983
Molecular FormulaC24H16N2
Molecular Weight332.41 g/mol
Exact Mass332.13
IUPAC Name(Z)-3-[4-[(Z)-2-cyano-2-phenylethenyl]phenyl]-2-phenylprop-2-enenitrile
SMILESN#C/C(=C\c1ccc(/C=C(\C#N)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H16N2/c25-17-23(21-7-3-1-4-8-21)15-19-11-13-20(14-12-19)16-24(18-26)22-9-5-2-6-10-22/h1-16H/b23-15+,24-16+
InChIKeyWSDKHZCNLDFRFB-DFEHQXHXSA-N
XLogP5.81
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 ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-[(Z)-2-cyano-2-phenylethenyl]phenyl]-2-phenylprop-2-enenitrile?
The IUPAC name of (Z)-3-[4-[(Z)-2-cyano-2-phenylethenyl]phenyl]-2-phenylprop-2-enenitrile (CID 639983) is (Z)-3-[4-[(Z)-2-cyano-2-phenylethenyl]phenyl]-2-phenylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-[4-[(Z)-2-cyano-2-phenylethenyl]phenyl]-2-phenylprop-2-enenitrile?
The canonical SMILES for (Z)-3-[4-[(Z)-2-cyano-2-phenylethenyl]phenyl]-2-phenylprop-2-enenitrile is N#C/C(=C\c1ccc(/C=C(\C#N)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of (Z)-3-[4-[(Z)-2-cyano-2-phenylethenyl]phenyl]-2-phenylprop-2-enenitrile?
The InChIKey is WSDKHZCNLDFRFB-DFEHQXHXSA-N. The full InChI is InChI=1S/C24H16N2/c25-17-23(21-7-3-1-4-8-21)15-19-11-13-20(14-12-19)16-24(18-26)22-9-5-2-6-10-22/h1-16H/b23-15+,24-16+.
What are the key properties of (Z)-3-[4-[(Z)-2-cyano-2-phenylethenyl]phenyl]-2-phenylprop-2-enenitrile?
(Z)-3-[4-[(Z)-2-cyano-2-phenylethenyl]phenyl]-2-phenylprop-2-enenitrile has a molecular weight of 332.41 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-[(Z)-2-cyano-2-phenylethenyl]phenyl]-2-phenylprop-2-enenitrile is sourced from PubChem (CID 639983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).