4-[4-(4,4-dimethylcyclohexyl)phenyl]-2,6-diphenylpyridine

C31H31N — CID 140825834

IUPAC4-[4-(4,4-dimethylcyclohexyl)phenyl]-2,6-diphenylpyridine
SMILESCC1(C)CCC(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc2)CC1
InChIInChI=1S/C31H31N/c1-31(2)19-17-25(18-20-31)23-13-15-24(16-14-23)28-21-29(26-9-5-3-6-10-26)32-30(22-28)27-11-7-4-8-12-27/h3-16,21-22,25H,17-20H2,1-2H3
InChIKeyRNSHEXONCFGXPU-UHFFFAOYSA-N
MW417.60 g/mol
LogP8.77
Rot. Bonds4

About 4-[4-(4,4-dimethylcyclohexyl)phenyl]-2,6-diphenylpyridine

4-[4-(4,4-dimethylcyclohexyl)phenyl]-2,6-diphenylpyridine (PubChem CID 140825834) has the molecular formula C31H31N and a molecular weight of 417.60 g/mol. Its IUPAC name is 4-[4-(4,4-dimethylcyclohexyl)phenyl]-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-[4-(4,4-dimethylcyclohexyl)phenyl]-2,6-diphenylpyridine
PubChem CID140825834
Molecular FormulaC31H31N
Molecular Weight417.60 g/mol
Exact Mass417.25
IUPAC Name4-[4-(4,4-dimethylcyclohexyl)phenyl]-2,6-diphenylpyridine
SMILESCC1(C)CCC(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc2)CC1
InChIInChI=1S/C31H31N/c1-31(2)19-17-25(18-20-31)23-13-15-24(16-14-23)28-21-29(26-9-5-3-6-10-26)32-30(22-28)27-11-7-4-8-12-27/h3-16,21-22,25H,17-20H2,1-2H3
InChIKeyRNSHEXONCFGXPU-UHFFFAOYSA-N
XLogP8.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.60
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[4-(4,4-dimethylcyclohexyl)phenyl]-2,6-diphenylpyridine 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 4-[4-(4,4-dimethylcyclohexyl)phenyl]-2,6-diphenylpyridine?
The IUPAC name of 4-[4-(4,4-dimethylcyclohexyl)phenyl]-2,6-diphenylpyridine (CID 140825834) is 4-[4-(4,4-dimethylcyclohexyl)phenyl]-2,6-diphenylpyridine.
What is the SMILES notation for 4-[4-(4,4-dimethylcyclohexyl)phenyl]-2,6-diphenylpyridine?
The canonical SMILES for 4-[4-(4,4-dimethylcyclohexyl)phenyl]-2,6-diphenylpyridine is CC1(C)CCC(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc2)CC1.
What is the InChIKey of 4-[4-(4,4-dimethylcyclohexyl)phenyl]-2,6-diphenylpyridine?
The InChIKey is RNSHEXONCFGXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N/c1-31(2)19-17-25(18-20-31)23-13-15-24(16-14-23)28-21-29(26-9-5-3-6-10-26)32-30(22-28)27-11-7-4-8-12-27/h3-16,21-22,25H,17-20H2,1-2H3.
What are the key properties of 4-[4-(4,4-dimethylcyclohexyl)phenyl]-2,6-diphenylpyridine?
4-[4-(4,4-dimethylcyclohexyl)phenyl]-2,6-diphenylpyridine has a molecular weight of 417.60 g/mol, XLogP of 8.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,4-dimethylcyclohexyl)phenyl]-2,6-diphenylpyridine is sourced from PubChem (CID 140825834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).