6-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-b]pyridine

C25H25NS — CID 155628726

IUPAC6-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-b]pyridine
SMILESCc1ccc(-c2cc3ccc(-c4cc(C)cc(C(C)(C)C)c4)nc3s2)cc1
InChIInChI=1S/C25H25NS/c1-16-6-8-18(9-7-16)23-15-19-10-11-22(26-24(19)27-23)20-12-17(2)13-21(14-20)25(3,4)5/h6-15H,1-5H3
InChIKeyWVRPHXLNTKUZQY-UHFFFAOYSA-N
MW371.55 g/mol
LogP7.54
Rot. Bonds2

About 6-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-b]pyridine

6-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-b]pyridine (PubChem CID 155628726) has the molecular formula C25H25NS and a molecular weight of 371.55 g/mol. Its IUPAC name is 6-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-b]pyridine.

Molecular Properties

Compound Name6-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-b]pyridine
PubChem CID155628726
Molecular FormulaC25H25NS
Molecular Weight371.55 g/mol
Exact Mass371.17
IUPAC Name6-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-b]pyridine
SMILESCc1ccc(-c2cc3ccc(-c4cc(C)cc(C(C)(C)C)c4)nc3s2)cc1
InChIInChI=1S/C25H25NS/c1-16-6-8-18(9-7-16)23-15-19-10-11-22(26-24(19)27-23)20-12-17(2)13-21(14-20)25(3,4)5/h6-15H,1-5H3
InChIKeyWVRPHXLNTKUZQY-UHFFFAOYSA-N
XLogP7.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.55
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-b]pyridine?
The IUPAC name of 6-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-b]pyridine (CID 155628726) is 6-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-b]pyridine.
What is the SMILES notation for 6-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-b]pyridine?
The canonical SMILES for 6-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-b]pyridine is Cc1ccc(-c2cc3ccc(-c4cc(C)cc(C(C)(C)C)c4)nc3s2)cc1.
What is the InChIKey of 6-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-b]pyridine?
The InChIKey is WVRPHXLNTKUZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NS/c1-16-6-8-18(9-7-16)23-15-19-10-11-22(26-24(19)27-23)20-12-17(2)13-21(14-20)25(3,4)5/h6-15H,1-5H3.
What are the key properties of 6-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-b]pyridine?
6-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-b]pyridine has a molecular weight of 371.55 g/mol, XLogP of 7.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-b]pyridine is sourced from PubChem (CID 155628726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).