6-(3-tert-butyl-5-methylphenyl)-2-phenylthieno[3,2-c]pyridine

C24H23NS — CID 155626337

IUPAC6-(3-tert-butyl-5-methylphenyl)-2-phenylthieno[3,2-c]pyridine
SMILESCc1cc(-c2cc3sc(-c4ccccc4)cc3cn2)cc(C(C)(C)C)c1
InChIInChI=1S/C24H23NS/c1-16-10-18(12-20(11-16)24(2,3)4)21-14-23-19(15-25-21)13-22(26-23)17-8-6-5-7-9-17/h5-15H,1-4H3
InChIKeyPILHEYCPONYNFP-UHFFFAOYSA-N
MW357.52 g/mol
LogP7.24
Rot. Bonds2

About 6-(3-tert-butyl-5-methylphenyl)-2-phenylthieno[3,2-c]pyridine

6-(3-tert-butyl-5-methylphenyl)-2-phenylthieno[3,2-c]pyridine (PubChem CID 155626337) has the molecular formula C24H23NS and a molecular weight of 357.52 g/mol. Its IUPAC name is 6-(3-tert-butyl-5-methylphenyl)-2-phenylthieno[3,2-c]pyridine.

Molecular Properties

Compound Name6-(3-tert-butyl-5-methylphenyl)-2-phenylthieno[3,2-c]pyridine
PubChem CID155626337
Molecular FormulaC24H23NS
Molecular Weight357.52 g/mol
Exact Mass357.16
IUPAC Name6-(3-tert-butyl-5-methylphenyl)-2-phenylthieno[3,2-c]pyridine
SMILESCc1cc(-c2cc3sc(-c4ccccc4)cc3cn2)cc(C(C)(C)C)c1
InChIInChI=1S/C24H23NS/c1-16-10-18(12-20(11-16)24(2,3)4)21-14-23-19(15-25-21)13-22(26-23)17-8-6-5-7-9-17/h5-15H,1-4H3
InChIKeyPILHEYCPONYNFP-UHFFFAOYSA-N
XLogP7.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.52
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-tert-butyl-5-methylphenyl)-2-(3,5-dimethylphenyl)thieno[3,2-c]pyridine
CID 155626487
5-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine
CID 155626713
2-(3,5-ditert-butylphenyl)-5-phenylthieno[2,3-c]pyridine
CID 155626837
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
6-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-b]pyridine
CID 155628726
5-(3,5-dimethylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine
CID 155626244
5-(3,5-dimethylphenyl)-2-phenylthieno[3,2-b]pyridine
CID 155226369
2-(2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine
CID 155626404
2-[3,5-di(propan-2-yl)phenyl]-6-(3-phenylphenyl)thieno[3,2-c]pyridine
CID 155626016
5-(3-tert-butyl-5-methylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[3,2-b]pyridine
CID 155629261
1,1'-biphenyl;tetrakis(1,3-ditert-butyl-5-methylbenzene)
CID 175093014

Frequently Asked Questions

What is the IUPAC name of 6-(3-tert-butyl-5-methylphenyl)-2-phenylthieno[3,2-c]pyridine?
The IUPAC name of 6-(3-tert-butyl-5-methylphenyl)-2-phenylthieno[3,2-c]pyridine (CID 155626337) is 6-(3-tert-butyl-5-methylphenyl)-2-phenylthieno[3,2-c]pyridine.
What is the SMILES notation for 6-(3-tert-butyl-5-methylphenyl)-2-phenylthieno[3,2-c]pyridine?
The canonical SMILES for 6-(3-tert-butyl-5-methylphenyl)-2-phenylthieno[3,2-c]pyridine is Cc1cc(-c2cc3sc(-c4ccccc4)cc3cn2)cc(C(C)(C)C)c1.
What is the InChIKey of 6-(3-tert-butyl-5-methylphenyl)-2-phenylthieno[3,2-c]pyridine?
The InChIKey is PILHEYCPONYNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NS/c1-16-10-18(12-20(11-16)24(2,3)4)21-14-23-19(15-25-21)13-22(26-23)17-8-6-5-7-9-17/h5-15H,1-4H3.
What are the key properties of 6-(3-tert-butyl-5-methylphenyl)-2-phenylthieno[3,2-c]pyridine?
6-(3-tert-butyl-5-methylphenyl)-2-phenylthieno[3,2-c]pyridine has a molecular weight of 357.52 g/mol, XLogP of 7.24, 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-phenylthieno[3,2-c]pyridine is sourced from PubChem (CID 155626337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).