5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine

C31H41N — CID 19841812

IUPAC5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
SMILESCCCCCCc1ccc(CCc2ccc(-c3ccc(CCCCCC)cn3)cc2)cc1
InChIInChI=1S/C31H41N/c1-3-5-7-9-11-26-13-15-27(16-14-26)17-18-28-19-22-30(23-20-28)31-24-21-29(25-32-31)12-10-8-6-4-2/h13-16,19-25H,3-12,17-18H2,1-2H3
InChIKeyUOFCMPDWVMYUAT-UHFFFAOYSA-N
MW427.68 g/mol
LogP8.78
Rot. Bonds14

About 5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine

5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine (PubChem CID 19841812) has the molecular formula C31H41N and a molecular weight of 427.68 g/mol. Its IUPAC name is 5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine.

Molecular Properties

Compound Name5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
PubChem CID19841812
Molecular FormulaC31H41N
Molecular Weight427.68 g/mol
Exact Mass427.32
IUPAC Name5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
SMILESCCCCCCc1ccc(CCc2ccc(-c3ccc(CCCCCC)cn3)cc2)cc1
InChIInChI=1S/C31H41N/c1-3-5-7-9-11-26-13-15-27(16-14-26)17-18-28-19-22-30(23-20-28)31-24-21-29(25-32-31)12-10-8-6-4-2/h13-16,19-25H,3-12,17-18H2,1-2H3
InChIKeyUOFCMPDWVMYUAT-UHFFFAOYSA-N
XLogP8.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.68
LogP ≤ 58.78
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

2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
5-hexyl-2-[6-(4-octylphenyl)-3-pyridinyl]pyridine
CID 139839622
2-(4-dodecylphenyl)-5-ethylpyridine
CID 3092180
2-[4-[2-(4-butoxyphenyl)ethyl]phenyl]-5-heptylpyridine
CID 19842054
2-[4-[2-(4-octoxyphenyl)ethyl]phenyl]-5-octylpyridine
CID 19841838
2,5-bis(4-octylphenyl)pyridine
CID 139839621
5-octyl-2-[4-(5-octyl-2-pyridinyl)phenyl]pyrimidine
CID 139621541
4-(5-nonyl-2-pyridinyl)phenol
CID 135627063
5-decyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine
CID 139626597
5-decyl-2-[4-(5-heptyl-2-pyridinyl)phenyl]pyrimidine
CID 139621535
5-heptyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine
CID 139621561

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine?
The IUPAC name of 5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine (CID 19841812) is 5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine.
What is the SMILES notation for 5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine?
The canonical SMILES for 5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine is CCCCCCc1ccc(CCc2ccc(-c3ccc(CCCCCC)cn3)cc2)cc1.
What is the InChIKey of 5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine?
The InChIKey is UOFCMPDWVMYUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N/c1-3-5-7-9-11-26-13-15-27(16-14-26)17-18-28-19-22-30(23-20-28)31-24-21-29(25-32-31)12-10-8-6-4-2/h13-16,19-25H,3-12,17-18H2,1-2H3.
What are the key properties of 5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine?
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine has a molecular weight of 427.68 g/mol, XLogP of 8.78, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine is sourced from PubChem (CID 19841812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).