2-(2,6-dimethylphenyl)-6-(3,5-dimethylphenyl)thieno[2,3-b]pyridine

C23H21NS — CID 155628792

IUPAC2-(2,6-dimethylphenyl)-6-(3,5-dimethylphenyl)thieno[2,3-b]pyridine
SMILESCc1cc(C)cc(-c2ccc3cc(-c4c(C)cccc4C)sc3n2)c1
InChIInChI=1S/C23H21NS/c1-14-10-15(2)12-19(11-14)20-9-8-18-13-21(25-23(18)24-20)22-16(3)6-5-7-17(22)4/h5-13H,1-4H3
InChIKeyNDWIZWHBCMHONS-UHFFFAOYSA-N
MW343.50 g/mol
LogP6.86
Rot. Bonds2

About 2-(2,6-dimethylphenyl)-6-(3,5-dimethylphenyl)thieno[2,3-b]pyridine

2-(2,6-dimethylphenyl)-6-(3,5-dimethylphenyl)thieno[2,3-b]pyridine (PubChem CID 155628792) has the molecular formula C23H21NS and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-6-(3,5-dimethylphenyl)thieno[2,3-b]pyridine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-6-(3,5-dimethylphenyl)thieno[2,3-b]pyridine
PubChem CID155628792
Molecular FormulaC23H21NS
Molecular Weight343.50 g/mol
Exact Mass343.14
IUPAC Name2-(2,6-dimethylphenyl)-6-(3,5-dimethylphenyl)thieno[2,3-b]pyridine
SMILESCc1cc(C)cc(-c2ccc3cc(-c4c(C)cccc4C)sc3n2)c1
InChIInChI=1S/C23H21NS/c1-14-10-15(2)12-19(11-14)20-9-8-18-13-21(25-23(18)24-20)22-16(3)6-5-7-17(22)4/h5-13H,1-4H3
InChIKeyNDWIZWHBCMHONS-UHFFFAOYSA-N
XLogP6.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.50
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3,5-dimethylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[2,3-b]pyridine
CID 155628986
2-(3,5-dimethylphenyl)-6-phenylthieno[2,3-b]pyridine
CID 155628557
6-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-b]pyridine
CID 155628726
8-[2-(2,6-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155629009
8-[2-(3,5-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155628946
2-(2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine
CID 155626404
8-[2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155628896
6-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)thieno[2,3-b]pyridine;6-(3,5-dimethylbenzene-6-id-1-yl)-2-(4-methylphenyl)thieno[2,3-b]pyridine;6-(3,5-dimethylbenzene-6-id-1-yl)-2-(2,4,6-trimethylphenyl)thieno[2,3-b]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium)
CID 157286622
6-(4-tert-butylphenyl)-2-phenylthieno[2,3-b]pyridine
CID 155629099
2-(3,5-dimethylphenyl)-9-[3-[9-(3,5-dimethylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline
CID 59010486
5-(3,5-dimethylphenyl)-2-phenylthieno[3,2-b]pyridine
CID 155226369
2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3,5-dimethylphenyl)thieno[2,3-c]pyridine
CID 155626452

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-6-(3,5-dimethylphenyl)thieno[2,3-b]pyridine?
The IUPAC name of 2-(2,6-dimethylphenyl)-6-(3,5-dimethylphenyl)thieno[2,3-b]pyridine (CID 155628792) is 2-(2,6-dimethylphenyl)-6-(3,5-dimethylphenyl)thieno[2,3-b]pyridine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-6-(3,5-dimethylphenyl)thieno[2,3-b]pyridine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-6-(3,5-dimethylphenyl)thieno[2,3-b]pyridine is Cc1cc(C)cc(-c2ccc3cc(-c4c(C)cccc4C)sc3n2)c1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-6-(3,5-dimethylphenyl)thieno[2,3-b]pyridine?
The InChIKey is NDWIZWHBCMHONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NS/c1-14-10-15(2)12-19(11-14)20-9-8-18-13-21(25-23(18)24-20)22-16(3)6-5-7-17(22)4/h5-13H,1-4H3.
What are the key properties of 2-(2,6-dimethylphenyl)-6-(3,5-dimethylphenyl)thieno[2,3-b]pyridine?
2-(2,6-dimethylphenyl)-6-(3,5-dimethylphenyl)thieno[2,3-b]pyridine has a molecular weight of 343.50 g/mol, XLogP of 6.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-6-(3,5-dimethylphenyl)thieno[2,3-b]pyridine is sourced from PubChem (CID 155628792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).