4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine

C28H32N2O2 — CID 102232279

IUPAC4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine
SMILESCCCCOc1cc(/C=C/c2ccncc2)c(OCCCC)cc1/C=C/c1ccncc1
InChIInChI=1S/C28H32N2O2/c1-3-5-19-31-27-21-26(10-8-24-13-17-30-18-14-24)28(32-20-6-4-2)22-25(27)9-7-23-11-15-29-16-12-23/h7-18,21-22H,3-6,19-20H2,1-2H3/b9-7+,10-8+
InChIKeyWCNFUNIQLMMCBI-FIFLTTCUSA-N
MW428.58 g/mol
LogP7.18
Rot. Bonds12

About 4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine

4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine (PubChem CID 102232279) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine.

Molecular Properties

Compound Name4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine
PubChem CID102232279
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC Name4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine
SMILESCCCCOc1cc(/C=C/c2ccncc2)c(OCCCC)cc1/C=C/c1ccncc1
InChIInChI=1S/C28H32N2O2/c1-3-5-19-31-27-21-26(10-8-24-13-17-30-18-14-24)28(32-20-6-4-2)22-25(27)9-7-23-11-15-29-16-12-23/h7-18,21-22H,3-6,19-20H2,1-2H3/b9-7+,10-8+
InChIKeyWCNFUNIQLMMCBI-FIFLTTCUSA-N
XLogP7.18
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 46230706
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4-(4-Butoxy-phenyl)-pyridine
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3-(3-Methoxybenzylidene)anabaseine
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3-(4-Butoxy-phenyl)-pyridine
CID 11817019
2-{3-[3-(4-Methoxy-tetrahydro-pyran-4-yl)-phenoxy]-prop-1-ynyl}-pyridine (0.1 hydrate)
CID 14985911
4-(3-Methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983578
N,N-diethyl-3-(8-(4-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yloxy)propan-1-amine
CID 15983840
4-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-(2-methoxy-phenyl)-ethyl]-pyridine
CID 44282073
4-[(R)-2-(3-cyclopentyloxy-4-methoxy-phenyl)-2-pyridin-4-yl-ethyl]-pyridine
CID 44282464
1-(2-(2-Ethoxyphenyl)-1-(pyridin-3-yl)ethyl)piperazine
CID 44414809

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine?
The IUPAC name of 4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine (CID 102232279) is 4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine.
What is the SMILES notation for 4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine?
The canonical SMILES for 4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine is CCCCOc1cc(/C=C/c2ccncc2)c(OCCCC)cc1/C=C/c1ccncc1.
What is the InChIKey of 4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine?
The InChIKey is WCNFUNIQLMMCBI-FIFLTTCUSA-N. The full InChI is InChI=1S/C28H32N2O2/c1-3-5-19-31-27-21-26(10-8-24-13-17-30-18-14-24)28(32-20-6-4-2)22-25(27)9-7-23-11-15-29-16-12-23/h7-18,21-22H,3-6,19-20H2,1-2H3/b9-7+,10-8+.
What are the key properties of 4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine?
4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine has a molecular weight of 428.58 g/mol, XLogP of 7.18, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine is sourced from PubChem (CID 102232279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).