5-(4-ethylphenyl)-2-(4-heptylcyclohexyl)pyridine

C26H37N — CID 19859212

IUPAC5-(4-ethylphenyl)-2-(4-heptylcyclohexyl)pyridine
SMILESCCCCCCCC1CCC(c2ccc(-c3ccc(CC)cc3)cn2)CC1
InChIInChI=1S/C26H37N/c1-3-5-6-7-8-9-22-12-16-24(17-13-22)26-19-18-25(20-27-26)23-14-10-21(4-2)11-15-23/h10-11,14-15,18-20,22,24H,3-9,12-13,16-17H2,1-2H3
InChIKeyCJQLBNYWCGJVIK-UHFFFAOYSA-N
MW363.59 g/mol
LogP7.95
Rot. Bonds9

About 5-(4-ethylphenyl)-2-(4-heptylcyclohexyl)pyridine

5-(4-ethylphenyl)-2-(4-heptylcyclohexyl)pyridine (PubChem CID 19859212) has the molecular formula C26H37N and a molecular weight of 363.59 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-2-(4-heptylcyclohexyl)pyridine.

Molecular Properties

Compound Name5-(4-ethylphenyl)-2-(4-heptylcyclohexyl)pyridine
PubChem CID19859212
Molecular FormulaC26H37N
Molecular Weight363.59 g/mol
Exact Mass363.29
IUPAC Name5-(4-ethylphenyl)-2-(4-heptylcyclohexyl)pyridine
SMILESCCCCCCCC1CCC(c2ccc(-c3ccc(CC)cc3)cn2)CC1
InChIInChI=1S/C26H37N/c1-3-5-6-7-8-9-22-12-16-24(17-13-22)26-19-18-25(20-27-26)23-14-10-21(4-2)11-15-23/h10-11,14-15,18-20,22,24H,3-9,12-13,16-17H2,1-2H3
InChIKeyCJQLBNYWCGJVIK-UHFFFAOYSA-N
XLogP7.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(4-ethylphenyl)-2-(4-heptylcyclohexyl)pyridine with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-butylcyclohexyl)-5-(4-ethylphenyl)pyridine
CID 19859506
5-(4-hexylphenyl)-2-(4-octylcyclohexyl)pyridine
CID 19858862
2-(4-octylcyclohexyl)-5-(4-pentoxyphenyl)pyridine
CID 19859736
5-heptyl-2-[4-(4-heptylcyclohexyl)cyclohexyl]pyridine;5-heptyl-2-[4-(4-hexylcyclohexyl)cyclohexyl]pyridine
CID 70426657
1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene
CID 20654382
5-heptoxy-2-[6-(4-pentylcyclohexyl)-3-pyridinyl]pyrimidine
CID 139603840
5-decyl-2-[6-(4-propylcyclohexyl)-3-pyridinyl]pyrimidine
CID 139626585
2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine
CID 18635627
5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine
CID 18609134
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-2-(4-heptylcyclohexyl)pyridine?
The IUPAC name of 5-(4-ethylphenyl)-2-(4-heptylcyclohexyl)pyridine (CID 19859212) is 5-(4-ethylphenyl)-2-(4-heptylcyclohexyl)pyridine.
What is the SMILES notation for 5-(4-ethylphenyl)-2-(4-heptylcyclohexyl)pyridine?
The canonical SMILES for 5-(4-ethylphenyl)-2-(4-heptylcyclohexyl)pyridine is CCCCCCCC1CCC(c2ccc(-c3ccc(CC)cc3)cn2)CC1.
What is the InChIKey of 5-(4-ethylphenyl)-2-(4-heptylcyclohexyl)pyridine?
The InChIKey is CJQLBNYWCGJVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N/c1-3-5-6-7-8-9-22-12-16-24(17-13-22)26-19-18-25(20-27-26)23-14-10-21(4-2)11-15-23/h10-11,14-15,18-20,22,24H,3-9,12-13,16-17H2,1-2H3.
What are the key properties of 5-(4-ethylphenyl)-2-(4-heptylcyclohexyl)pyridine?
5-(4-ethylphenyl)-2-(4-heptylcyclohexyl)pyridine has a molecular weight of 363.59 g/mol, XLogP of 7.95, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-2-(4-heptylcyclohexyl)pyridine is sourced from PubChem (CID 19859212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).