5-(3,5-dimethylphenyl)-2-(4-propan-2-ylphenyl)thieno[2,3-c]pyridine

C24H23NS — CID 155626143

IUPAC5-(3,5-dimethylphenyl)-2-(4-propan-2-ylphenyl)thieno[2,3-c]pyridine
SMILESCc1cc(C)cc(-c2cc3cc(-c4ccc(C(C)C)cc4)sc3cn2)c1
InChIInChI=1S/C24H23NS/c1-15(2)18-5-7-19(8-6-18)23-13-21-12-22(25-14-24(21)26-23)20-10-16(3)9-17(4)11-20/h5-15H,1-4H3
InChIKeyOYDUPKFVBFNGFI-UHFFFAOYSA-N
MW357.52 g/mol
LogP7.37
Rot. Bonds3

About 5-(3,5-dimethylphenyl)-2-(4-propan-2-ylphenyl)thieno[2,3-c]pyridine

5-(3,5-dimethylphenyl)-2-(4-propan-2-ylphenyl)thieno[2,3-c]pyridine (PubChem CID 155626143) has the molecular formula C24H23NS and a molecular weight of 357.52 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-2-(4-propan-2-ylphenyl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)-2-(4-propan-2-ylphenyl)thieno[2,3-c]pyridine
PubChem CID155626143
Molecular FormulaC24H23NS
Molecular Weight357.52 g/mol
Exact Mass357.16
IUPAC Name5-(3,5-dimethylphenyl)-2-(4-propan-2-ylphenyl)thieno[2,3-c]pyridine
SMILESCc1cc(C)cc(-c2cc3cc(-c4ccc(C(C)C)cc4)sc3cn2)c1
InChIInChI=1S/C24H23NS/c1-15(2)18-5-7-19(8-6-18)23-13-21-12-22(25-14-24(21)26-23)20-10-16(3)9-17(4)11-20/h5-15H,1-4H3
InChIKeyOYDUPKFVBFNGFI-UHFFFAOYSA-N
XLogP7.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.52
LogP ≤ 57.37
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
5-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine
CID 155626713
2-(3,5-dimethylphenyl)-5-(3-phenylphenyl)thieno[2,3-c]pyridine
CID 155626807
2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3,5-dimethylphenyl)thieno[2,3-c]pyridine
CID 155626452
2-(2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine
CID 155626404
1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene
CID 123198659
5-(3,5-dimethylphenyl)-2-naphthalen-2-ylthieno[3,2-b]pyridine
CID 155629233
6-(3-methyl-5-propan-2-ylphenyl)-1,7-naphthyridine
CID 153463563
6-(3-tert-butyl-5-methylphenyl)-2-(3,5-dimethylphenyl)thieno[3,2-c]pyridine
CID 155626487
8-[2-[3,5-di(propan-2-yl)phenyl]thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155626207
4,5-dimethyl-2-(4-propan-2-ylphenyl)pyridine
CID 59538629
5-(3,5-dimethylphenyl)-2-phenylthieno[3,2-b]pyridine
CID 155226369

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)-2-(4-propan-2-ylphenyl)thieno[2,3-c]pyridine?
The IUPAC name of 5-(3,5-dimethylphenyl)-2-(4-propan-2-ylphenyl)thieno[2,3-c]pyridine (CID 155626143) is 5-(3,5-dimethylphenyl)-2-(4-propan-2-ylphenyl)thieno[2,3-c]pyridine.
What is the SMILES notation for 5-(3,5-dimethylphenyl)-2-(4-propan-2-ylphenyl)thieno[2,3-c]pyridine?
The canonical SMILES for 5-(3,5-dimethylphenyl)-2-(4-propan-2-ylphenyl)thieno[2,3-c]pyridine is Cc1cc(C)cc(-c2cc3cc(-c4ccc(C(C)C)cc4)sc3cn2)c1.
What is the InChIKey of 5-(3,5-dimethylphenyl)-2-(4-propan-2-ylphenyl)thieno[2,3-c]pyridine?
The InChIKey is OYDUPKFVBFNGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NS/c1-15(2)18-5-7-19(8-6-18)23-13-21-12-22(25-14-24(21)26-23)20-10-16(3)9-17(4)11-20/h5-15H,1-4H3.
What are the key properties of 5-(3,5-dimethylphenyl)-2-(4-propan-2-ylphenyl)thieno[2,3-c]pyridine?
5-(3,5-dimethylphenyl)-2-(4-propan-2-ylphenyl)thieno[2,3-c]pyridine has a molecular weight of 357.52 g/mol, XLogP of 7.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylphenyl)-2-(4-propan-2-ylphenyl)thieno[2,3-c]pyridine is sourced from PubChem (CID 155626143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).