4-[(E)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]pyridine

C22H19NO — CID 12659152

IUPAC4-[(E)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]pyridine
SMILESCOc1ccc(/C=C/c2ccc(/C=C/c3ccncc3)cc2)cc1
InChIInChI=1S/C22H19NO/c1-24-22-12-10-20(11-13-22)7-6-18-2-4-19(5-3-18)8-9-21-14-16-23-17-15-21/h2-17H,1H3/b7-6+,9-8+
InChIKeyQVPUCXPOJQBPCE-BLHCBFLLSA-N
MW313.40 g/mol
LogP5.43
Rot. Bonds5

About 4-[(E)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]pyridine

4-[(E)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]pyridine (PubChem CID 12659152) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[(E)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]pyridine.

Molecular Properties

Compound Name4-[(E)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]pyridine
PubChem CID12659152
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name4-[(E)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]pyridine
SMILESCOc1ccc(/C=C/c2ccc(/C=C/c3ccncc3)cc2)cc1
InChIInChI=1S/C22H19NO/c1-24-22-12-10-20(11-13-22)7-6-18-2-4-19(5-3-18)8-9-21-14-16-23-17-15-21/h2-17H,1H3/b7-6+,9-8+
InChIKeyQVPUCXPOJQBPCE-BLHCBFLLSA-N
XLogP5.43
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]pyridine?
The IUPAC name of 4-[(E)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]pyridine (CID 12659152) is 4-[(E)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]pyridine.
What is the SMILES notation for 4-[(E)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]pyridine?
The canonical SMILES for 4-[(E)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]pyridine is COc1ccc(/C=C/c2ccc(/C=C/c3ccncc3)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]pyridine?
The InChIKey is QVPUCXPOJQBPCE-BLHCBFLLSA-N. The full InChI is InChI=1S/C22H19NO/c1-24-22-12-10-20(11-13-22)7-6-18-2-4-19(5-3-18)8-9-21-14-16-23-17-15-21/h2-17H,1H3/b7-6+,9-8+.
What are the key properties of 4-[(E)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]pyridine?
4-[(E)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]pyridine has a molecular weight of 313.40 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]pyridine is sourced from PubChem (CID 12659152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).