2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3,5-dimethylphenyl)thieno[2,3-c]pyridine

C27H29NS — CID 155626452

IUPAC2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3,5-dimethylphenyl)thieno[2,3-c]pyridine
SMILESCc1cc(C)cc(-c2cc3cc(-c4c(C)cc(C(C)(C)C)cc4C)sc3cn2)c1
InChIInChI=1S/C27H29NS/c1-16-8-17(2)10-20(9-16)23-13-21-14-24(29-25(21)15-28-23)26-18(3)11-22(12-19(26)4)27(5,6)7/h8-15H,1-7H3
InChIKeyGSUMIQCSGAGOGZ-UHFFFAOYSA-N
MW399.60 g/mol
LogP8.16
Rot. Bonds2

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

2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3,5-dimethylphenyl)thieno[2,3-c]pyridine (PubChem CID 155626452) has the molecular formula C27H29NS and a molecular weight of 399.60 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3,5-dimethylphenyl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3,5-dimethylphenyl)thieno[2,3-c]pyridine
PubChem CID155626452
Molecular FormulaC27H29NS
Molecular Weight399.60 g/mol
Exact Mass399.20
IUPAC Name2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3,5-dimethylphenyl)thieno[2,3-c]pyridine
SMILESCc1cc(C)cc(-c2cc3cc(-c4c(C)cc(C(C)(C)C)cc4C)sc3cn2)c1
InChIInChI=1S/C27H29NS/c1-16-8-17(2)10-20(9-16)23-13-21-14-24(29-25(21)15-28-23)26-18(3)11-22(12-19(26)4)27(5,6)7/h8-15H,1-7H3
InChIKeyGSUMIQCSGAGOGZ-UHFFFAOYSA-N
XLogP8.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.60
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine
CID 155626713
6-(3-tert-butyl-5-methylphenyl)-2-(3,5-dimethylphenyl)thieno[3,2-c]pyridine
CID 155626487
5-(3,5-dimethylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine
CID 155626244
2-(3,5-ditert-butylphenyl)-5-phenylthieno[2,3-c]pyridine
CID 155626837
2-(4-tert-butyl-2,6-dimethylphenyl)-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine
CID 153444993
2-(2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine
CID 155626404
6-(3-tert-butyl-5-methylphenyl)-2-phenylthieno[3,2-c]pyridine
CID 155626337
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
2-(4-tert-butyl-2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626361
6-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-b]pyridine
CID 155628726
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3,5-dimethylphenyl)thieno[2,3-c]pyridine?
The IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3,5-dimethylphenyl)thieno[2,3-c]pyridine (CID 155626452) is 2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3,5-dimethylphenyl)thieno[2,3-c]pyridine.
What is the SMILES notation for 2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3,5-dimethylphenyl)thieno[2,3-c]pyridine?
The canonical SMILES for 2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3,5-dimethylphenyl)thieno[2,3-c]pyridine is Cc1cc(C)cc(-c2cc3cc(-c4c(C)cc(C(C)(C)C)cc4C)sc3cn2)c1.
What is the InChIKey of 2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3,5-dimethylphenyl)thieno[2,3-c]pyridine?
The InChIKey is GSUMIQCSGAGOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NS/c1-16-8-17(2)10-20(9-16)23-13-21-14-24(29-25(21)15-28-23)26-18(3)11-22(12-19(26)4)27(5,6)7/h8-15H,1-7H3.
What are the key properties of 2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3,5-dimethylphenyl)thieno[2,3-c]pyridine?
2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3,5-dimethylphenyl)thieno[2,3-c]pyridine has a molecular weight of 399.60 g/mol, XLogP of 8.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3,5-dimethylphenyl)thieno[2,3-c]pyridine is sourced from PubChem (CID 155626452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).