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

C26H27NS — CID 155626487

IUPAC6-(3-tert-butyl-5-methylphenyl)-2-(3,5-dimethylphenyl)thieno[3,2-c]pyridine
SMILESCc1cc(C)cc(-c2cc3cnc(-c4cc(C)cc(C(C)(C)C)c4)cc3s2)c1
InChIInChI=1S/C26H27NS/c1-16-7-17(2)10-20(9-16)24-13-21-15-27-23(14-25(21)28-24)19-8-18(3)11-22(12-19)26(4,5)6/h7-15H,1-6H3
InChIKeyANRYMYYGWDGALZ-UHFFFAOYSA-N
MW385.58 g/mol
LogP7.85
Rot. Bonds2

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

6-(3-tert-butyl-5-methylphenyl)-2-(3,5-dimethylphenyl)thieno[3,2-c]pyridine (PubChem CID 155626487) has the molecular formula C26H27NS and a molecular weight of 385.58 g/mol. Its IUPAC name is 6-(3-tert-butyl-5-methylphenyl)-2-(3,5-dimethylphenyl)thieno[3,2-c]pyridine.

Molecular Properties

Compound Name6-(3-tert-butyl-5-methylphenyl)-2-(3,5-dimethylphenyl)thieno[3,2-c]pyridine
PubChem CID155626487
Molecular FormulaC26H27NS
Molecular Weight385.58 g/mol
Exact Mass385.19
IUPAC Name6-(3-tert-butyl-5-methylphenyl)-2-(3,5-dimethylphenyl)thieno[3,2-c]pyridine
SMILESCc1cc(C)cc(-c2cc3cnc(-c4cc(C)cc(C(C)(C)C)c4)cc3s2)c1
InChIInChI=1S/C26H27NS/c1-16-7-17(2)10-20(9-16)24-13-21-15-27-23(14-25(21)28-24)19-8-18(3)11-22(12-19)26(4,5)6/h7-15H,1-6H3
InChIKeyANRYMYYGWDGALZ-UHFFFAOYSA-N
XLogP7.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.58
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-tert-butyl-5-methylphenyl)-2-phenylthieno[3,2-c]pyridine
CID 155626337
5-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine
CID 155626713
2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3,5-dimethylphenyl)thieno[2,3-c]pyridine
CID 155626452
2-(3,5-ditert-butylphenyl)-5-phenylthieno[2,3-c]pyridine
CID 155626837
5-(3,5-dimethylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine
CID 155626244
6-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-b]pyridine
CID 155628726
2-(3,5-dimethylphenyl)-5-(3-phenylphenyl)thieno[2,3-c]pyridine
CID 155626807
5-(3,5-dimethylphenyl)-2-(4-propan-2-ylphenyl)thieno[2,3-c]pyridine
CID 155626143
5-(3-tert-butyl-5-methylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[3,2-b]pyridine
CID 155629261
2-(4-tert-butyl-2,6-dimethylphenyl)-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine
CID 153444993
2-(4-tert-butyl-2,6-dimethylphenyl)-6-(3,5-dimethylbenzene-6-id-1-yl)thieno[3,2-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626739
2-(3,5-dimethylphenyl)-4,5-dimethylpyridine
CID 129074691

Frequently Asked Questions

What is the IUPAC name of 6-(3-tert-butyl-5-methylphenyl)-2-(3,5-dimethylphenyl)thieno[3,2-c]pyridine?
The IUPAC name of 6-(3-tert-butyl-5-methylphenyl)-2-(3,5-dimethylphenyl)thieno[3,2-c]pyridine (CID 155626487) is 6-(3-tert-butyl-5-methylphenyl)-2-(3,5-dimethylphenyl)thieno[3,2-c]pyridine.
What is the SMILES notation for 6-(3-tert-butyl-5-methylphenyl)-2-(3,5-dimethylphenyl)thieno[3,2-c]pyridine?
The canonical SMILES for 6-(3-tert-butyl-5-methylphenyl)-2-(3,5-dimethylphenyl)thieno[3,2-c]pyridine is Cc1cc(C)cc(-c2cc3cnc(-c4cc(C)cc(C(C)(C)C)c4)cc3s2)c1.
What is the InChIKey of 6-(3-tert-butyl-5-methylphenyl)-2-(3,5-dimethylphenyl)thieno[3,2-c]pyridine?
The InChIKey is ANRYMYYGWDGALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NS/c1-16-7-17(2)10-20(9-16)24-13-21-15-27-23(14-25(21)28-24)19-8-18(3)11-22(12-19)26(4,5)6/h7-15H,1-6H3.
What are the key properties of 6-(3-tert-butyl-5-methylphenyl)-2-(3,5-dimethylphenyl)thieno[3,2-c]pyridine?
6-(3-tert-butyl-5-methylphenyl)-2-(3,5-dimethylphenyl)thieno[3,2-c]pyridine has a molecular weight of 385.58 g/mol, XLogP of 7.85, 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-(3,5-dimethylphenyl)thieno[3,2-c]pyridine is sourced from PubChem (CID 155626487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).