2-(4-tert-butyl-2,6-dimethylphenyl)-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine

C27H29NS — CID 153444993

IUPAC2-(4-tert-butyl-2,6-dimethylphenyl)-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine
SMILESCc1cc(C)cc(-c2nccc3cc(-c4c(C)cc(C(C)(C)C)cc4C)sc23)c1
InChIInChI=1S/C27H29NS/c1-16-10-17(2)12-21(11-16)25-26-20(8-9-28-25)15-23(29-26)24-18(3)13-22(14-19(24)4)27(5,6)7/h8-15H,1-7H3
InChIKeyALNYWHLTHAQWOL-UHFFFAOYSA-N
MW399.60 g/mol
LogP8.16
Rot. Bonds2

About 2-(4-tert-butyl-2,6-dimethylphenyl)-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine

2-(4-tert-butyl-2,6-dimethylphenyl)-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine (PubChem CID 153444993) 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)-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name2-(4-tert-butyl-2,6-dimethylphenyl)-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine
PubChem CID153444993
Molecular FormulaC27H29NS
Molecular Weight399.60 g/mol
Exact Mass399.20
IUPAC Name2-(4-tert-butyl-2,6-dimethylphenyl)-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine
SMILESCc1cc(C)cc(-c2nccc3cc(-c4c(C)cc(C(C)(C)C)cc4C)sc23)c1
InChIInChI=1S/C27H29NS/c1-16-10-17(2)12-21(11-16)25-26-20(8-9-28-25)15-23(29-26)24-18(3)13-22(14-19(24)4)27(5,6)7/h8-15H,1-7H3
InChIKeyALNYWHLTHAQWOL-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

2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3,5-dimethylphenyl)thieno[2,3-c]pyridine
CID 155626452
1-(3-tert-butyl-5-methylphenyl)-6-methylisoquinoline
CID 153463406
15-(3,5-dimethylphenyl)-5-(2,2-dimethylpropyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
CID 164783128
8-tert-butyl-4-(3,5-dimethylphenyl)benzo[f]isoquinoline
CID 155619475
6-(3,5-dimethylphenyl)-10-(2-methylpropyl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 153428523
2-(2,6-dimethylphenyl)-6-(3,5-dimethylphenyl)thieno[2,3-b]pyridine
CID 155628792
6-(3-tert-butyl-5-methylphenyl)-2-(3,5-dimethylphenyl)thieno[3,2-c]pyridine
CID 155626487
7-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-c]pyridin-5-ylthieno[2,3-c]pyridine
CID 171718582
7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzothiophen-5-yl]thieno[2,3-c]pyridine
CID 171717762
5-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine
CID 155626713
1-(3,5-dimethylphenyl)-6-(1,1,1-trifluoro-2-methylpropan-2-yl)isoquinoline
CID 167260716
6-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-b]pyridine
CID 155628726

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine?
The IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine (CID 153444993) is 2-(4-tert-butyl-2,6-dimethylphenyl)-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine.
What is the SMILES notation for 2-(4-tert-butyl-2,6-dimethylphenyl)-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine?
The canonical SMILES for 2-(4-tert-butyl-2,6-dimethylphenyl)-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine is Cc1cc(C)cc(-c2nccc3cc(-c4c(C)cc(C(C)(C)C)cc4C)sc23)c1.
What is the InChIKey of 2-(4-tert-butyl-2,6-dimethylphenyl)-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine?
The InChIKey is ALNYWHLTHAQWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NS/c1-16-10-17(2)12-21(11-16)25-26-20(8-9-28-25)15-23(29-26)24-18(3)13-22(14-19(24)4)27(5,6)7/h8-15H,1-7H3.
What are the key properties of 2-(4-tert-butyl-2,6-dimethylphenyl)-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine?
2-(4-tert-butyl-2,6-dimethylphenyl)-7-(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)-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine is sourced from PubChem (CID 153444993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).