5-(4-hexylphenyl)-2-(4-octylcyclohexyl)pyridine

C31H47N — CID 19858862

IUPAC5-(4-hexylphenyl)-2-(4-octylcyclohexyl)pyridine
SMILESCCCCCCCCC1CCC(c2ccc(-c3ccc(CCCCCC)cc3)cn2)CC1
InChIInChI=1S/C31H47N/c1-3-5-7-9-10-12-14-27-17-21-29(22-18-27)31-24-23-30(25-32-31)28-19-15-26(16-20-28)13-11-8-6-4-2/h15-16,19-20,23-25,27,29H,3-14,17-18,21-22H2,1-2H3
InChIKeyMXLDQVDBDVUHEE-UHFFFAOYSA-N
MW433.72 g/mol
LogP9.90
Rot. Bonds14

About 5-(4-hexylphenyl)-2-(4-octylcyclohexyl)pyridine

5-(4-hexylphenyl)-2-(4-octylcyclohexyl)pyridine (PubChem CID 19858862) has the molecular formula C31H47N and a molecular weight of 433.72 g/mol. Its IUPAC name is 5-(4-hexylphenyl)-2-(4-octylcyclohexyl)pyridine.

Molecular Properties

Compound Name5-(4-hexylphenyl)-2-(4-octylcyclohexyl)pyridine
PubChem CID19858862
Molecular FormulaC31H47N
Molecular Weight433.72 g/mol
Exact Mass433.37
IUPAC Name5-(4-hexylphenyl)-2-(4-octylcyclohexyl)pyridine
SMILESCCCCCCCCC1CCC(c2ccc(-c3ccc(CCCCCC)cc3)cn2)CC1
InChIInChI=1S/C31H47N/c1-3-5-7-9-10-12-14-27-17-21-29(22-18-27)31-24-23-30(25-32-31)28-19-15-26(16-20-28)13-11-8-6-4-2/h15-16,19-20,23-25,27,29H,3-14,17-18,21-22H2,1-2H3
InChIKeyMXLDQVDBDVUHEE-UHFFFAOYSA-N
XLogP9.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.72
LogP ≤ 59.90
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-(4-ethylphenyl)-2-(4-heptylcyclohexyl)pyridine
CID 19859212
2-(4-butylcyclohexyl)-5-(4-ethylphenyl)pyridine
CID 19859506
5-heptyl-2-[4-(4-heptylcyclohexyl)cyclohexyl]pyridine;5-heptyl-2-[4-(4-hexylcyclohexyl)cyclohexyl]pyridine
CID 70426657
2-(4-octylcyclohexyl)-5-(4-pentoxyphenyl)pyridine
CID 19859736
5-decyl-2-[6-(4-propylcyclohexyl)-3-pyridinyl]pyrimidine
CID 139626585
1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20538951
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025
5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424949

Frequently Asked Questions

What is the IUPAC name of 5-(4-hexylphenyl)-2-(4-octylcyclohexyl)pyridine?
The IUPAC name of 5-(4-hexylphenyl)-2-(4-octylcyclohexyl)pyridine (CID 19858862) is 5-(4-hexylphenyl)-2-(4-octylcyclohexyl)pyridine.
What is the SMILES notation for 5-(4-hexylphenyl)-2-(4-octylcyclohexyl)pyridine?
The canonical SMILES for 5-(4-hexylphenyl)-2-(4-octylcyclohexyl)pyridine is CCCCCCCCC1CCC(c2ccc(-c3ccc(CCCCCC)cc3)cn2)CC1.
What is the InChIKey of 5-(4-hexylphenyl)-2-(4-octylcyclohexyl)pyridine?
The InChIKey is MXLDQVDBDVUHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H47N/c1-3-5-7-9-10-12-14-27-17-21-29(22-18-27)31-24-23-30(25-32-31)28-19-15-26(16-20-28)13-11-8-6-4-2/h15-16,19-20,23-25,27,29H,3-14,17-18,21-22H2,1-2H3.
What are the key properties of 5-(4-hexylphenyl)-2-(4-octylcyclohexyl)pyridine?
5-(4-hexylphenyl)-2-(4-octylcyclohexyl)pyridine has a molecular weight of 433.72 g/mol, XLogP of 9.90, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hexylphenyl)-2-(4-octylcyclohexyl)pyridine is sourced from PubChem (CID 19858862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).