4-[3-fluoro-5-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine

C24H17FN2 — CID 121481848

IUPAC4-[3-fluoro-5-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine
SMILESFc1cc(/C=C/c2ccc(-c3ccncc3)cc2)cc(-c2ccncc2)c1
InChIInChI=1S/C24H17FN2/c25-24-16-19(15-23(17-24)22-9-13-27-14-10-22)2-1-18-3-5-20(6-4-18)21-7-11-26-12-8-21/h1-17H/b2-1+
InChIKeyWZUNUNKEZOGQPB-OWOJBTEDSA-N
MW352.41 g/mol
LogP6.12
Rot. Bonds4

About 4-[3-fluoro-5-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine

4-[3-fluoro-5-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine (PubChem CID 121481848) has the molecular formula C24H17FN2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 4-[3-fluoro-5-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine.

Molecular Properties

Compound Name4-[3-fluoro-5-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine
PubChem CID121481848
Molecular FormulaC24H17FN2
Molecular Weight352.41 g/mol
Exact Mass352.14
IUPAC Name4-[3-fluoro-5-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine
SMILESFc1cc(/C=C/c2ccc(-c3ccncc3)cc2)cc(-c2ccncc2)c1
InChIInChI=1S/C24H17FN2/c25-24-16-19(15-23(17-24)22-9-13-27-14-10-22)2-1-18-3-5-20(6-4-18)21-7-11-26-12-8-21/h1-17H/b2-1+
InChIKeyWZUNUNKEZOGQPB-OWOJBTEDSA-N
XLogP6.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.41
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[3-fluoro-5-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine 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 4-[3-fluoro-5-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine?
The IUPAC name of 4-[3-fluoro-5-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine (CID 121481848) is 4-[3-fluoro-5-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine.
What is the SMILES notation for 4-[3-fluoro-5-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine?
The canonical SMILES for 4-[3-fluoro-5-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine is Fc1cc(/C=C/c2ccc(-c3ccncc3)cc2)cc(-c2ccncc2)c1.
What is the InChIKey of 4-[3-fluoro-5-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine?
The InChIKey is WZUNUNKEZOGQPB-OWOJBTEDSA-N. The full InChI is InChI=1S/C24H17FN2/c25-24-16-19(15-23(17-24)22-9-13-27-14-10-22)2-1-18-3-5-20(6-4-18)21-7-11-26-12-8-21/h1-17H/b2-1+.
What are the key properties of 4-[3-fluoro-5-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine?
4-[3-fluoro-5-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine has a molecular weight of 352.41 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine is sourced from PubChem (CID 121481848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).