2-[5-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]thiophen-2-yl]pyridine

C29H31NS — CID 58658166

IUPAC2-[5-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]thiophen-2-yl]pyridine
SMILESCC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2-c2ccc(-c3ccccn3)s2)cc1
InChIInChI=1S/C29H31NS/c1-28(2,3)21-12-10-20(11-13-21)23-15-14-22(29(4,5)6)19-24(23)26-16-17-27(31-26)25-9-7-8-18-30-25/h7-19H,1-6H3
InChIKeyJWQXDSPQOPNFNO-UHFFFAOYSA-N
MW425.64 g/mol
LogP8.74
Rot. Bonds3

About 2-[5-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]thiophen-2-yl]pyridine

2-[5-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]thiophen-2-yl]pyridine (PubChem CID 58658166) has the molecular formula C29H31NS and a molecular weight of 425.64 g/mol. Its IUPAC name is 2-[5-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]thiophen-2-yl]pyridine.

Molecular Properties

Compound Name2-[5-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]thiophen-2-yl]pyridine
PubChem CID58658166
Molecular FormulaC29H31NS
Molecular Weight425.64 g/mol
Exact Mass425.22
IUPAC Name2-[5-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]thiophen-2-yl]pyridine
SMILESCC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2-c2ccc(-c3ccccn3)s2)cc1
InChIInChI=1S/C29H31NS/c1-28(2,3)21-12-10-20(11-13-21)23-15-14-22(29(4,5)6)19-24(23)26-16-17-27(31-26)25-9-7-8-18-30-25/h7-19H,1-6H3
InChIKeyJWQXDSPQOPNFNO-UHFFFAOYSA-N
XLogP8.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.64
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[5-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]thiophen-2-yl]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-[5-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]thiophen-2-yl]pyridine?
The IUPAC name of 2-[5-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]thiophen-2-yl]pyridine (CID 58658166) is 2-[5-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]thiophen-2-yl]pyridine.
What is the SMILES notation for 2-[5-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]thiophen-2-yl]pyridine?
The canonical SMILES for 2-[5-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]thiophen-2-yl]pyridine is CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2-c2ccc(-c3ccccn3)s2)cc1.
What is the InChIKey of 2-[5-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]thiophen-2-yl]pyridine?
The InChIKey is JWQXDSPQOPNFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31NS/c1-28(2,3)21-12-10-20(11-13-21)23-15-14-22(29(4,5)6)19-24(23)26-16-17-27(31-26)25-9-7-8-18-30-25/h7-19H,1-6H3.
What are the key properties of 2-[5-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]thiophen-2-yl]pyridine?
2-[5-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]thiophen-2-yl]pyridine has a molecular weight of 425.64 g/mol, XLogP of 8.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]thiophen-2-yl]pyridine is sourced from PubChem (CID 58658166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).