5-methyl-2-[4-(6-phenylhexyl)phenyl]pyridine

C24H27N — CID 140814097

IUPAC5-methyl-2-[4-(6-phenylhexyl)phenyl]pyridine
SMILESCc1ccc(-c2ccc(CCCCCCc3ccccc3)cc2)nc1
InChIInChI=1S/C24H27N/c1-20-13-18-24(25-19-20)23-16-14-22(15-17-23)12-6-3-2-5-9-21-10-7-4-8-11-21/h4,7-8,10-11,13-19H,2-3,5-6,9,12H2,1H3
InChIKeyTWGNHIDFPIKJAS-UHFFFAOYSA-N
MW329.49 g/mol
LogP6.40
Rot. Bonds8

About 5-methyl-2-[4-(6-phenylhexyl)phenyl]pyridine

5-methyl-2-[4-(6-phenylhexyl)phenyl]pyridine (PubChem CID 140814097) has the molecular formula C24H27N and a molecular weight of 329.49 g/mol. Its IUPAC name is 5-methyl-2-[4-(6-phenylhexyl)phenyl]pyridine.

Molecular Properties

Compound Name5-methyl-2-[4-(6-phenylhexyl)phenyl]pyridine
PubChem CID140814097
Molecular FormulaC24H27N
Molecular Weight329.49 g/mol
Exact Mass329.21
IUPAC Name5-methyl-2-[4-(6-phenylhexyl)phenyl]pyridine
SMILESCc1ccc(-c2ccc(CCCCCCc3ccccc3)cc2)nc1
InChIInChI=1S/C24H27N/c1-20-13-18-24(25-19-20)23-16-14-22(15-17-23)12-6-3-2-5-9-21-10-7-4-8-11-21/h4,7-8,10-11,13-19H,2-3,5-6,9,12H2,1H3
InChIKeyTWGNHIDFPIKJAS-UHFFFAOYSA-N
XLogP6.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 56.40
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-[3-(4-butylphenyl)phenyl]-5-methylpyridine
CID 140633723
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2-(5-methyl-2-pyridinyl)-6-[5-[5-[6-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]pentyl]-2-pyridinyl]pyridine
CID 101357427
2,2-dimethylpropane;5-methyl-2-phenylpyridine
CID 143955006
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
2,5-bis(4-octylphenyl)pyridine
CID 139839621
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
2-(4-dodecylphenyl)-5-ethylpyridine
CID 3092180
5-hexyl-2-[6-(4-octylphenyl)-3-pyridinyl]pyridine
CID 139839622
5-[3,5-bis(4-butylphenyl)-2,4,6-trimethylphenyl]-2-phenylpyridine
CID 140777693
[4-[6-(4-hexylphenyl)-3-pyridinyl]phenyl]-phenylmethanone
CID 59538564
1-hexyl-4-methylbenzene;toluene
CID 173071388

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(6-phenylhexyl)phenyl]pyridine?
The IUPAC name of 5-methyl-2-[4-(6-phenylhexyl)phenyl]pyridine (CID 140814097) is 5-methyl-2-[4-(6-phenylhexyl)phenyl]pyridine.
What is the SMILES notation for 5-methyl-2-[4-(6-phenylhexyl)phenyl]pyridine?
The canonical SMILES for 5-methyl-2-[4-(6-phenylhexyl)phenyl]pyridine is Cc1ccc(-c2ccc(CCCCCCc3ccccc3)cc2)nc1.
What is the InChIKey of 5-methyl-2-[4-(6-phenylhexyl)phenyl]pyridine?
The InChIKey is TWGNHIDFPIKJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N/c1-20-13-18-24(25-19-20)23-16-14-22(15-17-23)12-6-3-2-5-9-21-10-7-4-8-11-21/h4,7-8,10-11,13-19H,2-3,5-6,9,12H2,1H3.
What are the key properties of 5-methyl-2-[4-(6-phenylhexyl)phenyl]pyridine?
5-methyl-2-[4-(6-phenylhexyl)phenyl]pyridine has a molecular weight of 329.49 g/mol, XLogP of 6.40, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(6-phenylhexyl)phenyl]pyridine is sourced from PubChem (CID 140814097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).