2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine

C21H13NOS — CID 126749586

IUPAC2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine
SMILESc1ccc(-c2cc(-c3ccc4oc5sccc5c4c3)ccn2)cc1
InChIInChI=1S/C21H13NOS/c1-2-4-14(5-3-1)19-13-16(8-10-22-19)15-6-7-20-18(12-15)17-9-11-24-21(17)23-20/h1-13H
InChIKeySHHYEJYMGOPXPT-UHFFFAOYSA-N
MW327.41 g/mol
LogP6.38
Rot. Bonds2

About 2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine

2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine (PubChem CID 126749586) has the molecular formula C21H13NOS and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine.

Molecular Properties

Compound Name2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine
PubChem CID126749586
Molecular FormulaC21H13NOS
Molecular Weight327.41 g/mol
Exact Mass327.07
IUPAC Name2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine
SMILESc1ccc(-c2cc(-c3ccc4oc5sccc5c4c3)ccn2)cc1
InChIInChI=1S/C21H13NOS/c1-2-4-14(5-3-1)19-13-16(8-10-22-19)15-6-7-20-18(12-15)17-9-11-24-21(17)23-20/h1-13H
InChIKeySHHYEJYMGOPXPT-UHFFFAOYSA-N
XLogP6.38
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.41
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine?
The IUPAC name of 2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine (CID 126749586) is 2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine.
What is the SMILES notation for 2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine?
The canonical SMILES for 2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine is c1ccc(-c2cc(-c3ccc4oc5sccc5c4c3)ccn2)cc1.
What is the InChIKey of 2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine?
The InChIKey is SHHYEJYMGOPXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NOS/c1-2-4-14(5-3-1)19-13-16(8-10-22-19)15-6-7-20-18(12-15)17-9-11-24-21(17)23-20/h1-13H.
What are the key properties of 2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine?
2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine has a molecular weight of 327.41 g/mol, XLogP of 6.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-thieno[2,3-b][1]benzofuran-7-ylpyridine is sourced from PubChem (CID 126749586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).