2-(3,5-dimethylphenyl)-5-(3-phenylphenyl)thieno[2,3-c]pyridine

C27H21NS — CID 155626807

IUPAC2-(3,5-dimethylphenyl)-5-(3-phenylphenyl)thieno[2,3-c]pyridine
SMILESCc1cc(C)cc(-c2cc3cc(-c4cccc(-c5ccccc5)c4)ncc3s2)c1
InChIInChI=1S/C27H21NS/c1-18-11-19(2)13-23(12-18)26-16-24-15-25(28-17-27(24)29-26)22-10-6-9-21(14-22)20-7-4-3-5-8-20/h3-17H,1-2H3
InChIKeyLAEPIVIXFOIOSA-UHFFFAOYSA-N
MW391.54 g/mol
LogP7.91
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-5-(3-phenylphenyl)thieno[2,3-c]pyridine

2-(3,5-dimethylphenyl)-5-(3-phenylphenyl)thieno[2,3-c]pyridine (PubChem CID 155626807) has the molecular formula C27H21NS and a molecular weight of 391.54 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-5-(3-phenylphenyl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-5-(3-phenylphenyl)thieno[2,3-c]pyridine
PubChem CID155626807
Molecular FormulaC27H21NS
Molecular Weight391.54 g/mol
Exact Mass391.14
IUPAC Name2-(3,5-dimethylphenyl)-5-(3-phenylphenyl)thieno[2,3-c]pyridine
SMILESCc1cc(C)cc(-c2cc3cc(-c4cccc(-c5ccccc5)c4)ncc3s2)c1
InChIInChI=1S/C27H21NS/c1-18-11-19(2)13-23(12-18)26-16-24-15-25(28-17-27(24)29-26)22-10-6-9-21(14-22)20-7-4-3-5-8-20/h3-17H,1-2H3
InChIKeyLAEPIVIXFOIOSA-UHFFFAOYSA-N
XLogP7.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.54
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,5-dimethylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine
CID 155626244
2-(2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine
CID 155626404
2-(3,5-ditert-butylphenyl)-5-phenylthieno[2,3-c]pyridine
CID 155626837
5-(3,5-dimethylphenyl)-2-(4-propan-2-ylphenyl)thieno[2,3-c]pyridine
CID 155626143
2-[3,5-di(propan-2-yl)phenyl]-6-(3-phenylphenyl)thieno[3,2-c]pyridine
CID 155626016
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-phenylthieno[3,2-b]pyridine
CID 155226369
2-(3,5-dimethylphenyl)-6-phenylthieno[2,3-b]pyridine
CID 155628557
2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3,5-dimethylphenyl)thieno[2,3-c]pyridine
CID 155626452
5-methyl-4-phenyl-2-(3-phenylphenyl)pyridine
CID 140676048
1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane
CID 174481520

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-5-(3-phenylphenyl)thieno[2,3-c]pyridine?
The IUPAC name of 2-(3,5-dimethylphenyl)-5-(3-phenylphenyl)thieno[2,3-c]pyridine (CID 155626807) is 2-(3,5-dimethylphenyl)-5-(3-phenylphenyl)thieno[2,3-c]pyridine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-5-(3-phenylphenyl)thieno[2,3-c]pyridine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-5-(3-phenylphenyl)thieno[2,3-c]pyridine is Cc1cc(C)cc(-c2cc3cc(-c4cccc(-c5ccccc5)c4)ncc3s2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-5-(3-phenylphenyl)thieno[2,3-c]pyridine?
The InChIKey is LAEPIVIXFOIOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NS/c1-18-11-19(2)13-23(12-18)26-16-24-15-25(28-17-27(24)29-26)22-10-6-9-21(14-22)20-7-4-3-5-8-20/h3-17H,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)-5-(3-phenylphenyl)thieno[2,3-c]pyridine?
2-(3,5-dimethylphenyl)-5-(3-phenylphenyl)thieno[2,3-c]pyridine has a molecular weight of 391.54 g/mol, XLogP of 7.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-5-(3-phenylphenyl)thieno[2,3-c]pyridine is sourced from PubChem (CID 155626807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).