2-(2,4-difluorophenyl)-4-[4-[(E)-2-[4-(5-ethenoxypentoxy)phenyl]ethenyl]phenyl]pyridine

C32H29F2NO2 — CID 153309705

IUPAC2-(2,4-difluorophenyl)-4-[4-[(E)-2-[4-(5-ethenoxypentoxy)phenyl]ethenyl]phenyl]pyridine
SMILESC=COCCCCCOc1ccc(/C=C/c2ccc(-c3ccnc(-c4ccc(F)cc4F)c3)cc2)cc1
InChIInChI=1S/C32H29F2NO2/c1-2-36-20-4-3-5-21-37-29-15-10-25(11-16-29)7-6-24-8-12-26(13-9-24)27-18-19-35-32(22-27)30-17-14-28(33)23-31(30)34/h2,6-19,22-23H,1,3-5,20-21H2/b7-6+
InChIKeyRGKPOCMONKLVAG-VOTSOKGWSA-N
MW497.59 g/mol
LogP8.57
Rot. Bonds12

About 2-(2,4-difluorophenyl)-4-[4-[(E)-2-[4-(5-ethenoxypentoxy)phenyl]ethenyl]phenyl]pyridine

2-(2,4-difluorophenyl)-4-[4-[(E)-2-[4-(5-ethenoxypentoxy)phenyl]ethenyl]phenyl]pyridine (PubChem CID 153309705) has the molecular formula C32H29F2NO2 and a molecular weight of 497.59 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-4-[4-[(E)-2-[4-(5-ethenoxypentoxy)phenyl]ethenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-4-[4-[(E)-2-[4-(5-ethenoxypentoxy)phenyl]ethenyl]phenyl]pyridine
PubChem CID153309705
Molecular FormulaC32H29F2NO2
Molecular Weight497.59 g/mol
Exact Mass497.22
IUPAC Name2-(2,4-difluorophenyl)-4-[4-[(E)-2-[4-(5-ethenoxypentoxy)phenyl]ethenyl]phenyl]pyridine
SMILESC=COCCCCCOc1ccc(/C=C/c2ccc(-c3ccnc(-c4ccc(F)cc4F)c3)cc2)cc1
InChIInChI=1S/C32H29F2NO2/c1-2-36-20-4-3-5-21-37-29-15-10-25(11-16-29)7-6-24-8-12-26(13-9-24)27-18-19-35-32(22-27)30-17-14-28(33)23-31(30)34/h2,6-19,22-23H,1,3-5,20-21H2/b7-6+
InChIKeyRGKPOCMONKLVAG-VOTSOKGWSA-N
XLogP8.57
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.59
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-4-[4-[(E)-2-[4-(5-ethenoxypentoxy)phenyl]ethenyl]phenyl]pyridine?
The IUPAC name of 2-(2,4-difluorophenyl)-4-[4-[(E)-2-[4-(5-ethenoxypentoxy)phenyl]ethenyl]phenyl]pyridine (CID 153309705) is 2-(2,4-difluorophenyl)-4-[4-[(E)-2-[4-(5-ethenoxypentoxy)phenyl]ethenyl]phenyl]pyridine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-4-[4-[(E)-2-[4-(5-ethenoxypentoxy)phenyl]ethenyl]phenyl]pyridine?
The canonical SMILES for 2-(2,4-difluorophenyl)-4-[4-[(E)-2-[4-(5-ethenoxypentoxy)phenyl]ethenyl]phenyl]pyridine is C=COCCCCCOc1ccc(/C=C/c2ccc(-c3ccnc(-c4ccc(F)cc4F)c3)cc2)cc1.
What is the InChIKey of 2-(2,4-difluorophenyl)-4-[4-[(E)-2-[4-(5-ethenoxypentoxy)phenyl]ethenyl]phenyl]pyridine?
The InChIKey is RGKPOCMONKLVAG-VOTSOKGWSA-N. The full InChI is InChI=1S/C32H29F2NO2/c1-2-36-20-4-3-5-21-37-29-15-10-25(11-16-29)7-6-24-8-12-26(13-9-24)27-18-19-35-32(22-27)30-17-14-28(33)23-31(30)34/h2,6-19,22-23H,1,3-5,20-21H2/b7-6+.
What are the key properties of 2-(2,4-difluorophenyl)-4-[4-[(E)-2-[4-(5-ethenoxypentoxy)phenyl]ethenyl]phenyl]pyridine?
2-(2,4-difluorophenyl)-4-[4-[(E)-2-[4-(5-ethenoxypentoxy)phenyl]ethenyl]phenyl]pyridine has a molecular weight of 497.59 g/mol, XLogP of 8.57, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-4-[4-[(E)-2-[4-(5-ethenoxypentoxy)phenyl]ethenyl]phenyl]pyridine is sourced from PubChem (CID 153309705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).