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

C21H17NS — CID 155628557

IUPAC2-(3,5-dimethylphenyl)-6-phenylthieno[2,3-b]pyridine
SMILESCc1cc(C)cc(-c2cc3ccc(-c4ccccc4)nc3s2)c1
InChIInChI=1S/C21H17NS/c1-14-10-15(2)12-18(11-14)20-13-17-8-9-19(22-21(17)23-20)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKeyHNRMMQWYHGTCOL-UHFFFAOYSA-N
MW315.44 g/mol
LogP6.25
Rot. Bonds2

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

2-(3,5-dimethylphenyl)-6-phenylthieno[2,3-b]pyridine (PubChem CID 155628557) has the molecular formula C21H17NS and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-6-phenylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-6-phenylthieno[2,3-b]pyridine
PubChem CID155628557
Molecular FormulaC21H17NS
Molecular Weight315.44 g/mol
Exact Mass315.11
IUPAC Name2-(3,5-dimethylphenyl)-6-phenylthieno[2,3-b]pyridine
SMILESCc1cc(C)cc(-c2cc3ccc(-c4ccccc4)nc3s2)c1
InChIInChI=1S/C21H17NS/c1-14-10-15(2)12-18(11-14)20-13-17-8-9-19(22-21(17)23-20)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKeyHNRMMQWYHGTCOL-UHFFFAOYSA-N
XLogP6.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.44
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dimethylphenyl)-6-(3,5-dimethylphenyl)thieno[2,3-b]pyridine
CID 155628792
6-(4-tert-butylphenyl)-2-phenylthieno[2,3-b]pyridine
CID 155629099
6-(3,5-dimethylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[2,3-b]pyridine
CID 155628986
6-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-b]pyridine
CID 155628726
5-(3,5-dimethylphenyl)-2-phenylthieno[3,2-b]pyridine
CID 155226369
2-(3,5-dimethylphenyl)-5-(3-phenylphenyl)thieno[2,3-c]pyridine
CID 155626807
8-[2-(3,5-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155628946
4-(3,5-dimethylphenyl)-2,6-diphenylpyridine
CID 132529641
2-(3,5-dimethylphenyl)-7-phenylquinoline
CID 58162359
5-(3,5-dimethylphenyl)-2-naphthalen-2-ylthieno[3,2-b]pyridine
CID 155629233
2-(3,5-ditert-butylphenyl)-5-phenylthieno[2,3-c]pyridine
CID 155626837
6-methyl-2-phenyl-1,8-naphthyridine
CID 24814869

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-6-phenylthieno[2,3-b]pyridine?
The IUPAC name of 2-(3,5-dimethylphenyl)-6-phenylthieno[2,3-b]pyridine (CID 155628557) is 2-(3,5-dimethylphenyl)-6-phenylthieno[2,3-b]pyridine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-6-phenylthieno[2,3-b]pyridine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-6-phenylthieno[2,3-b]pyridine is Cc1cc(C)cc(-c2cc3ccc(-c4ccccc4)nc3s2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-6-phenylthieno[2,3-b]pyridine?
The InChIKey is HNRMMQWYHGTCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NS/c1-14-10-15(2)12-18(11-14)20-13-17-8-9-19(22-21(17)23-20)16-6-4-3-5-7-16/h3-13H,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)-6-phenylthieno[2,3-b]pyridine?
2-(3,5-dimethylphenyl)-6-phenylthieno[2,3-b]pyridine has a molecular weight of 315.44 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-6-phenylthieno[2,3-b]pyridine is sourced from PubChem (CID 155628557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).