2-(4-tert-butylphenyl)-5-chloro-4-(4-cyclohexylphenyl)pyridine

C27H30ClN — CID 171405147

IUPAC2-(4-tert-butylphenyl)-5-chloro-4-(4-cyclohexylphenyl)pyridine
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccc(C4CCCCC4)cc3)c(Cl)cn2)cc1
InChIInChI=1S/C27H30ClN/c1-27(2,3)23-15-13-22(14-16-23)26-17-24(25(28)18-29-26)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h9-19H,4-8H2,1-3H3
InChIKeyGYXQEZSPFVYKCO-UHFFFAOYSA-N
MW404.00 g/mol
LogP8.41
Rot. Bonds3

About 2-(4-tert-butylphenyl)-5-chloro-4-(4-cyclohexylphenyl)pyridine

2-(4-tert-butylphenyl)-5-chloro-4-(4-cyclohexylphenyl)pyridine (PubChem CID 171405147) has the molecular formula C27H30ClN and a molecular weight of 404.00 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-chloro-4-(4-cyclohexylphenyl)pyridine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-chloro-4-(4-cyclohexylphenyl)pyridine
PubChem CID171405147
Molecular FormulaC27H30ClN
Molecular Weight404.00 g/mol
Exact Mass403.21
IUPAC Name2-(4-tert-butylphenyl)-5-chloro-4-(4-cyclohexylphenyl)pyridine
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccc(C4CCCCC4)cc3)c(Cl)cn2)cc1
InChIInChI=1S/C27H30ClN/c1-27(2,3)23-15-13-22(14-16-23)26-17-24(25(28)18-29-26)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h9-19H,4-8H2,1-3H3
InChIKeyGYXQEZSPFVYKCO-UHFFFAOYSA-N
XLogP8.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.00
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4-tert-butylphenyl)-5-chloro-4-(4-cyclohexylphenyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-chloro-4-(4-cyclohexylphenyl)pyridine?
The IUPAC name of 2-(4-tert-butylphenyl)-5-chloro-4-(4-cyclohexylphenyl)pyridine (CID 171405147) is 2-(4-tert-butylphenyl)-5-chloro-4-(4-cyclohexylphenyl)pyridine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-chloro-4-(4-cyclohexylphenyl)pyridine?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-chloro-4-(4-cyclohexylphenyl)pyridine is CC(C)(C)c1ccc(-c2cc(-c3ccc(C4CCCCC4)cc3)c(Cl)cn2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-chloro-4-(4-cyclohexylphenyl)pyridine?
The InChIKey is GYXQEZSPFVYKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN/c1-27(2,3)23-15-13-22(14-16-23)26-17-24(25(28)18-29-26)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h9-19H,4-8H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-5-chloro-4-(4-cyclohexylphenyl)pyridine?
2-(4-tert-butylphenyl)-5-chloro-4-(4-cyclohexylphenyl)pyridine has a molecular weight of 404.00 g/mol, XLogP of 8.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5-chloro-4-(4-cyclohexylphenyl)pyridine is sourced from PubChem (CID 171405147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).