2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine

C30H39N — CID 19841822

IUPAC2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
SMILESCCCCCCc1ccc(-c2ccc(CCc3ccc(CCCCC)cc3)cn2)cc1
InChIInChI=1S/C30H39N/c1-3-5-7-9-11-26-18-21-29(22-19-26)30-23-20-28(24-31-30)17-16-27-14-12-25(13-15-27)10-8-6-4-2/h12-15,18-24H,3-11,16-17H2,1-2H3
InChIKeyMWOPJTHKCVVMIM-UHFFFAOYSA-N
MW413.65 g/mol
LogP8.39
Rot. Bonds13

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

2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine (PubChem CID 19841822) has the molecular formula C30H39N and a molecular weight of 413.65 g/mol. Its IUPAC name is 2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine.

Molecular Properties

Compound Name2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
PubChem CID19841822
Molecular FormulaC30H39N
Molecular Weight413.65 g/mol
Exact Mass413.31
IUPAC Name2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
SMILESCCCCCCc1ccc(-c2ccc(CCc3ccc(CCCCC)cc3)cn2)cc1
InChIInChI=1S/C30H39N/c1-3-5-7-9-11-26-18-21-29(22-19-26)30-23-20-28(24-31-30)17-16-27-14-12-25(13-15-27)10-8-6-4-2/h12-15,18-24H,3-11,16-17H2,1-2H3
InChIKeyMWOPJTHKCVVMIM-UHFFFAOYSA-N
XLogP8.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.65
LogP ≤ 58.39
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-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
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-heptyl-2-[4-(5-nonyl-2-pyridinyl)phenyl]pyrimidine
CID 139621543
5-decyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine
CID 139626597
5-decyl-2-[4-(5-heptyl-2-pyridinyl)phenyl]pyrimidine
CID 139621535

Frequently Asked Questions

What is the IUPAC name of 2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine?
The IUPAC name of 2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine (CID 19841822) is 2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine.
What is the SMILES notation for 2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine?
The canonical SMILES for 2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine is CCCCCCc1ccc(-c2ccc(CCc3ccc(CCCCC)cc3)cn2)cc1.
What is the InChIKey of 2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine?
The InChIKey is MWOPJTHKCVVMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N/c1-3-5-7-9-11-26-18-21-29(22-19-26)30-23-20-28(24-31-30)17-16-27-14-12-25(13-15-27)10-8-6-4-2/h12-15,18-24H,3-11,16-17H2,1-2H3.
What are the key properties of 2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine?
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine has a molecular weight of 413.65 g/mol, XLogP of 8.39, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine is sourced from PubChem (CID 19841822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).