2,6-bis[2-(4-methylphenyl)ethyl]pyridine

C23H25N — CID 71606713

IUPAC2,6-bis[2-(4-methylphenyl)ethyl]pyridine
SMILESCc1ccc(CCc2cccc(CCc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C23H25N/c1-18-6-10-20(11-7-18)14-16-22-4-3-5-23(24-22)17-15-21-12-8-19(2)9-13-21/h3-13H,14-17H2,1-2H3
InChIKeyAOAOXSUNFXXSGI-UHFFFAOYSA-N
MW315.46 g/mol
LogP5.27
Rot. Bonds6

About 2,6-bis[2-(4-methylphenyl)ethyl]pyridine

2,6-bis[2-(4-methylphenyl)ethyl]pyridine (PubChem CID 71606713) has the molecular formula C23H25N and a molecular weight of 315.46 g/mol. Its IUPAC name is 2,6-bis[2-(4-methylphenyl)ethyl]pyridine.

Molecular Properties

Compound Name2,6-bis[2-(4-methylphenyl)ethyl]pyridine
PubChem CID71606713
Molecular FormulaC23H25N
Molecular Weight315.46 g/mol
Exact Mass315.20
IUPAC Name2,6-bis[2-(4-methylphenyl)ethyl]pyridine
SMILESCc1ccc(CCc2cccc(CCc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C23H25N/c1-18-6-10-20(11-7-18)14-16-22-4-3-5-23(24-22)17-15-21-12-8-19(2)9-13-21/h3-13H,14-17H2,1-2H3
InChIKeyAOAOXSUNFXXSGI-UHFFFAOYSA-N
XLogP5.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2-(4-methylphenyl)ethyl]pyridine?
The IUPAC name of 2,6-bis[2-(4-methylphenyl)ethyl]pyridine (CID 71606713) is 2,6-bis[2-(4-methylphenyl)ethyl]pyridine.
What is the SMILES notation for 2,6-bis[2-(4-methylphenyl)ethyl]pyridine?
The canonical SMILES for 2,6-bis[2-(4-methylphenyl)ethyl]pyridine is Cc1ccc(CCc2cccc(CCc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 2,6-bis[2-(4-methylphenyl)ethyl]pyridine?
The InChIKey is AOAOXSUNFXXSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N/c1-18-6-10-20(11-7-18)14-16-22-4-3-5-23(24-22)17-15-21-12-8-19(2)9-13-21/h3-13H,14-17H2,1-2H3.
What are the key properties of 2,6-bis[2-(4-methylphenyl)ethyl]pyridine?
2,6-bis[2-(4-methylphenyl)ethyl]pyridine has a molecular weight of 315.46 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2-(4-methylphenyl)ethyl]pyridine is sourced from PubChem (CID 71606713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).