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

C36H57N — CID 154424953

IUPAC5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
SMILESCCCCCCCCCCc1ccc(-c2ccc(CCCCC3CCC(CCCCC)CC3)cc2)nc1
InChIInChI=1S/C36H57N/c1-3-5-7-8-9-10-11-13-19-34-26-29-36(37-30-34)35-27-24-33(25-28-35)18-15-14-17-32-22-20-31(21-23-32)16-12-6-4-2/h24-32H,3-23H2,1-2H3
InChIKeyOOSDOEOYVAZESS-UHFFFAOYSA-N
MW503.86 g/mol
LogP11.53
Rot. Bonds19

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

5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine (PubChem CID 154424953) has the molecular formula C36H57N and a molecular weight of 503.86 g/mol. Its IUPAC name is 5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine.

Molecular Properties

Compound Name5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
PubChem CID154424953
Molecular FormulaC36H57N
Molecular Weight503.86 g/mol
Exact Mass503.45
IUPAC Name5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
SMILESCCCCCCCCCCc1ccc(-c2ccc(CCCCC3CCC(CCCCC)CC3)cc2)nc1
InChIInChI=1S/C36H57N/c1-3-5-7-8-9-10-11-13-19-34-26-29-36(37-30-34)35-27-24-33(25-28-35)18-15-14-17-32-22-20-31(21-23-32)16-12-6-4-2/h24-32H,3-23H2,1-2H3
InChIKeyOOSDOEOYVAZESS-UHFFFAOYSA-N
XLogP11.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.86
LogP ≤ 511.53
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-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424949
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-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine?
The IUPAC name of 5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine (CID 154424953) is 5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine.
What is the SMILES notation for 5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine?
The canonical SMILES for 5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine is CCCCCCCCCCc1ccc(-c2ccc(CCCCC3CCC(CCCCC)CC3)cc2)nc1.
What is the InChIKey of 5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine?
The InChIKey is OOSDOEOYVAZESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H57N/c1-3-5-7-8-9-10-11-13-19-34-26-29-36(37-30-34)35-27-24-33(25-28-35)18-15-14-17-32-22-20-31(21-23-32)16-12-6-4-2/h24-32H,3-23H2,1-2H3.
What are the key properties of 5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine?
5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine has a molecular weight of 503.86 g/mol, XLogP of 11.53, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine is sourced from PubChem (CID 154424953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).