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

C21H17NS — CID 155626404

IUPAC2-(2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine
SMILESCc1cccc(C)c1-c1cc2cc(-c3ccccc3)ncc2s1
InChIInChI=1S/C21H17NS/c1-14-7-6-8-15(2)21(14)19-12-17-11-18(22-13-20(17)23-19)16-9-4-3-5-10-16/h3-13H,1-2H3
InChIKeyJRPHAOQNSHPGCJ-UHFFFAOYSA-N
MW315.44 g/mol
LogP6.25
Rot. Bonds2

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

2-(2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine (PubChem CID 155626404) has the molecular formula C21H17NS and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine
PubChem CID155626404
Molecular FormulaC21H17NS
Molecular Weight315.44 g/mol
Exact Mass315.11
IUPAC Name2-(2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine
SMILESCc1cccc(C)c1-c1cc2cc(-c3ccccc3)ncc2s1
InChIInChI=1S/C21H17NS/c1-14-7-6-8-15(2)21(14)19-12-17-11-18(22-13-20(17)23-19)16-9-4-3-5-10-16/h3-13H,1-2H3
InChIKeyJRPHAOQNSHPGCJ-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-(3,5-dimethylphenyl)-5-(3-phenylphenyl)thieno[2,3-c]pyridine
CID 155626807
2-(3,5-ditert-butylphenyl)-5-phenylthieno[2,3-c]pyridine
CID 155626837
2-(2,6-dimethylphenyl)-1-benzothiophene
CID 641356
5-(3,5-dimethylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine
CID 155626244
2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3,5-dimethylphenyl)thieno[2,3-c]pyridine
CID 155626452
2-(2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626403
5-(3H-dibenzofuran-3-id-4-yl)-2-(2,6-dimethylphenyl)thieno[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-phenylthieno[2,3-c]pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium)
CID 161388618
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
5-(3,5-dimethylphenyl)-2-(4-propan-2-ylphenyl)thieno[2,3-c]pyridine
CID 155626143
2-(2,6-dimethylphenyl)-6-(3,5-dimethylphenyl)thieno[2,3-b]pyridine
CID 155628792
iridium;tris(4-methyl-2,5-diphenylpyridine)
CID 158257140

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine?
The IUPAC name of 2-(2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine (CID 155626404) is 2-(2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine is Cc1cccc(C)c1-c1cc2cc(-c3ccccc3)ncc2s1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine?
The InChIKey is JRPHAOQNSHPGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NS/c1-14-7-6-8-15(2)21(14)19-12-17-11-18(22-13-20(17)23-19)16-9-4-3-5-10-16/h3-13H,1-2H3.
What are the key properties of 2-(2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine?
2-(2,6-dimethylphenyl)-5-phenylthieno[2,3-c]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-(2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine is sourced from PubChem (CID 155626404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).