4-(3-phenylphenyl)thieno[3,2-c]pyridine

C19H13NS — CID 146304121

IUPAC4-(3-phenylphenyl)thieno[3,2-c]pyridine
SMILESc1ccc(-c2cccc(-c3nccc4sccc34)c2)cc1
InChIInChI=1S/C19H13NS/c1-2-5-14(6-3-1)15-7-4-8-16(13-15)19-17-10-12-21-18(17)9-11-20-19/h1-13H
InChIKeyITCXOFQQYIEYDQ-UHFFFAOYSA-N
MW287.39 g/mol
LogP5.63
Rot. Bonds2

About 4-(3-phenylphenyl)thieno[3,2-c]pyridine

4-(3-phenylphenyl)thieno[3,2-c]pyridine (PubChem CID 146304121) has the molecular formula C19H13NS and a molecular weight of 287.39 g/mol. Its IUPAC name is 4-(3-phenylphenyl)thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(3-phenylphenyl)thieno[3,2-c]pyridine
PubChem CID146304121
Molecular FormulaC19H13NS
Molecular Weight287.39 g/mol
Exact Mass287.08
IUPAC Name4-(3-phenylphenyl)thieno[3,2-c]pyridine
SMILESc1ccc(-c2cccc(-c3nccc4sccc34)c2)cc1
InChIInChI=1S/C19H13NS/c1-2-5-14(6-3-1)15-7-4-8-16(13-15)19-17-10-12-21-18(17)9-11-20-19/h1-13H
InChIKeyITCXOFQQYIEYDQ-UHFFFAOYSA-N
XLogP5.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.39
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylphenyl)thieno[3,2-c]pyridine?
The IUPAC name of 4-(3-phenylphenyl)thieno[3,2-c]pyridine (CID 146304121) is 4-(3-phenylphenyl)thieno[3,2-c]pyridine.
What is the SMILES notation for 4-(3-phenylphenyl)thieno[3,2-c]pyridine?
The canonical SMILES for 4-(3-phenylphenyl)thieno[3,2-c]pyridine is c1ccc(-c2cccc(-c3nccc4sccc34)c2)cc1.
What is the InChIKey of 4-(3-phenylphenyl)thieno[3,2-c]pyridine?
The InChIKey is ITCXOFQQYIEYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NS/c1-2-5-14(6-3-1)15-7-4-8-16(13-15)19-17-10-12-21-18(17)9-11-20-19/h1-13H.
What are the key properties of 4-(3-phenylphenyl)thieno[3,2-c]pyridine?
4-(3-phenylphenyl)thieno[3,2-c]pyridine has a molecular weight of 287.39 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylphenyl)thieno[3,2-c]pyridine is sourced from PubChem (CID 146304121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).