4-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]phenyl]ethenyl]pyridine

C32H28F3NO2 — CID 67662356

IUPAC4-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]phenyl]ethenyl]pyridine
SMILESCOc1ccc(-c2cc(-c3ccccc3C(F)(F)F)ccc2C=Cc2ccncc2)cc1OC1CCCC1
InChIInChI=1S/C32H28F3NO2/c1-37-30-15-14-25(21-31(30)38-26-6-2-3-7-26)28-20-24(27-8-4-5-9-29(27)32(33,34)35)13-12-23(28)11-10-22-16-18-36-19-17-22/h4-5,8-21,26H,2-3,6-7H2,1H3
InChIKeyAQNPBSRKUWVFAY-UHFFFAOYSA-N
MW515.58 g/mol
LogP8.93
Rot. Bonds7

About 4-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]phenyl]ethenyl]pyridine

4-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]phenyl]ethenyl]pyridine (PubChem CID 67662356) has the molecular formula C32H28F3NO2 and a molecular weight of 515.58 g/mol. Its IUPAC name is 4-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]phenyl]ethenyl]pyridine.

Molecular Properties

Compound Name4-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]phenyl]ethenyl]pyridine
PubChem CID67662356
Molecular FormulaC32H28F3NO2
Molecular Weight515.58 g/mol
Exact Mass515.21
IUPAC Name4-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]phenyl]ethenyl]pyridine
SMILESCOc1ccc(-c2cc(-c3ccccc3C(F)(F)F)ccc2C=Cc2ccncc2)cc1OC1CCCC1
InChIInChI=1S/C32H28F3NO2/c1-37-30-15-14-25(21-31(30)38-26-6-2-3-7-26)28-20-24(27-8-4-5-9-29(27)32(33,34)35)13-12-23(28)11-10-22-16-18-36-19-17-22/h4-5,8-21,26H,2-3,6-7H2,1H3
InChIKeyAQNPBSRKUWVFAY-UHFFFAOYSA-N
XLogP8.93
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.58
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]phenyl]ethenyl]pyridine?
The IUPAC name of 4-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]phenyl]ethenyl]pyridine (CID 67662356) is 4-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]phenyl]ethenyl]pyridine.
What is the SMILES notation for 4-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]phenyl]ethenyl]pyridine?
The canonical SMILES for 4-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]phenyl]ethenyl]pyridine is COc1ccc(-c2cc(-c3ccccc3C(F)(F)F)ccc2C=Cc2ccncc2)cc1OC1CCCC1.
What is the InChIKey of 4-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]phenyl]ethenyl]pyridine?
The InChIKey is AQNPBSRKUWVFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F3NO2/c1-37-30-15-14-25(21-31(30)38-26-6-2-3-7-26)28-20-24(27-8-4-5-9-29(27)32(33,34)35)13-12-23(28)11-10-22-16-18-36-19-17-22/h4-5,8-21,26H,2-3,6-7H2,1H3.
What are the key properties of 4-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]phenyl]ethenyl]pyridine?
4-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]phenyl]ethenyl]pyridine has a molecular weight of 515.58 g/mol, XLogP of 8.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]phenyl]ethenyl]pyridine is sourced from PubChem (CID 67662356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).