5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine

C32H49N — CID 154424949

IUPAC5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
SMILESCCCCCCc1ccc(-c2ccc(CCCCC3CCC(CCCCC)CC3)cc2)nc1
InChIInChI=1S/C32H49N/c1-3-5-7-9-15-30-22-25-32(33-26-30)31-23-20-29(21-24-31)14-11-10-13-28-18-16-27(17-19-28)12-8-6-4-2/h20-28H,3-19H2,1-2H3
InChIKeyCXCZVBYXDPJCDB-UHFFFAOYSA-N
MW447.75 g/mol
LogP9.97
Rot. Bonds15

About 5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine

5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine (PubChem CID 154424949) has the molecular formula C32H49N and a molecular weight of 447.75 g/mol. Its IUPAC name is 5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine.

Molecular Properties

Compound Name5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
PubChem CID154424949
Molecular FormulaC32H49N
Molecular Weight447.75 g/mol
Exact Mass447.39
IUPAC Name5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
SMILESCCCCCCc1ccc(-c2ccc(CCCCC3CCC(CCCCC)CC3)cc2)nc1
InChIInChI=1S/C32H49N/c1-3-5-7-9-15-30-22-25-32(33-26-30)31-23-20-29(21-24-31)14-11-10-13-28-18-16-27(17-19-28)12-8-6-4-2/h20-28H,3-19H2,1-2H3
InChIKeyCXCZVBYXDPJCDB-UHFFFAOYSA-N
XLogP9.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.75
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424950
5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424953
5-octyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 18609154
2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine
CID 14474661
5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine
CID 18609134
2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine
CID 18635627
5-hexyl-2-[4-[(E)-4-(4-pentylcyclohexyl)but-3-enyl]phenyl]pyridine
CID 67786870
5-heptyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
CID 57153394
2-(4-hexylphenyl)-5-[2-(3-pentylcyclohexyl)ethyl]pyridine
CID 57020973
5-butyl-2-[4-[3-(4-heptylcyclohexyl)propoxy]phenyl]pyridine
CID 19738977
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine
CID 19083555

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine?
The IUPAC name of 5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine (CID 154424949) is 5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine.
What is the SMILES notation for 5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine?
The canonical SMILES for 5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine is CCCCCCc1ccc(-c2ccc(CCCCC3CCC(CCCCC)CC3)cc2)nc1.
What is the InChIKey of 5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine?
The InChIKey is CXCZVBYXDPJCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H49N/c1-3-5-7-9-15-30-22-25-32(33-26-30)31-23-20-29(21-24-31)14-11-10-13-28-18-16-27(17-19-28)12-8-6-4-2/h20-28H,3-19H2,1-2H3.
What are the key properties of 5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine?
5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine has a molecular weight of 447.75 g/mol, XLogP of 9.97, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine is sourced from PubChem (CID 154424949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).