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

C25H25NS — CID 155626713

IUPAC5-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine
SMILESCc1ccc(-c2cc3cc(-c4cc(C)cc(C(C)(C)C)c4)ncc3s2)cc1
InChIInChI=1S/C25H25NS/c1-16-6-8-18(9-7-16)23-14-20-13-22(26-15-24(20)27-23)19-10-17(2)11-21(12-19)25(3,4)5/h6-15H,1-5H3
InChIKeyHYEFXVFXVQRHIX-UHFFFAOYSA-N
MW371.55 g/mol
LogP7.54
Rot. Bonds2

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

5-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine (PubChem CID 155626713) has the molecular formula C25H25NS and a molecular weight of 371.55 g/mol. Its IUPAC name is 5-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name5-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine
PubChem CID155626713
Molecular FormulaC25H25NS
Molecular Weight371.55 g/mol
Exact Mass371.17
IUPAC Name5-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine
SMILESCc1ccc(-c2cc3cc(-c4cc(C)cc(C(C)(C)C)c4)ncc3s2)cc1
InChIInChI=1S/C25H25NS/c1-16-6-8-18(9-7-16)23-14-20-13-22(26-15-24(20)27-23)19-10-17(2)11-21(12-19)25(3,4)5/h6-15H,1-5H3
InChIKeyHYEFXVFXVQRHIX-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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Related Compounds

5-(3,5-dimethylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine
CID 155626244
6-(3-tert-butyl-5-methylphenyl)-2-phenylthieno[3,2-c]pyridine
CID 155626337
2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3,5-dimethylphenyl)thieno[2,3-c]pyridine
CID 155626452
6-(3-tert-butyl-5-methylphenyl)-2-(3,5-dimethylphenyl)thieno[3,2-c]pyridine
CID 155626487
6-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-b]pyridine
CID 155628726
2-(3,5-ditert-butylphenyl)-5-phenylthieno[2,3-c]pyridine
CID 155626837
5-(3,5-dimethylphenyl)-2-(4-propan-2-ylphenyl)thieno[2,3-c]pyridine
CID 155626143
2-(3,5-dimethylphenyl)-5-(3-phenylphenyl)thieno[2,3-c]pyridine
CID 155626807
5-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(4-methylphenyl)thieno[2,3-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626712
2-(2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine
CID 155626404
5-(3-tert-butyl-5-methylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[3,2-b]pyridine
CID 155629261
5-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(4-fluorophenyl)thieno[2,3-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626841

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine?
The IUPAC name of 5-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine (CID 155626713) is 5-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine.
What is the SMILES notation for 5-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine?
The canonical SMILES for 5-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine is Cc1ccc(-c2cc3cc(-c4cc(C)cc(C(C)(C)C)c4)ncc3s2)cc1.
What is the InChIKey of 5-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine?
The InChIKey is HYEFXVFXVQRHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NS/c1-16-6-8-18(9-7-16)23-14-20-13-22(26-15-24(20)27-23)19-10-17(2)11-21(12-19)25(3,4)5/h6-15H,1-5H3.
What are the key properties of 5-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine?
5-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-c]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 5-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine is sourced from PubChem (CID 155626713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).