3-phenyl-1-thiophen-2-yl-[1]benzofuro[2,3-c]pyridine

C21H13NOS — CID 164667883

IUPAC3-phenyl-1-thiophen-2-yl-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2cc3c(oc4ccccc43)c(-c3cccs3)n2)cc1
InChIInChI=1S/C21H13NOS/c1-2-7-14(8-3-1)17-13-16-15-9-4-5-10-18(15)23-21(16)20(22-17)19-11-6-12-24-19/h1-13H
InChIKeySSCHOWHXPCTXGM-UHFFFAOYSA-N
MW327.41 g/mol
LogP6.38
Rot. Bonds2

About 3-phenyl-1-thiophen-2-yl-[1]benzofuro[2,3-c]pyridine

3-phenyl-1-thiophen-2-yl-[1]benzofuro[2,3-c]pyridine (PubChem CID 164667883) has the molecular formula C21H13NOS and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-phenyl-1-thiophen-2-yl-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name3-phenyl-1-thiophen-2-yl-[1]benzofuro[2,3-c]pyridine
PubChem CID164667883
Molecular FormulaC21H13NOS
Molecular Weight327.41 g/mol
Exact Mass327.07
IUPAC Name3-phenyl-1-thiophen-2-yl-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2cc3c(oc4ccccc43)c(-c3cccs3)n2)cc1
InChIInChI=1S/C21H13NOS/c1-2-7-14(8-3-1)17-13-16-15-9-4-5-10-18(15)23-21(16)20(22-17)19-11-6-12-24-19/h1-13H
InChIKeySSCHOWHXPCTXGM-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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Related Compounds

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4-(Furan-3-yl)-2-(4-methylphenyl)-6-thiophen-3-ylpyridine
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4-(5-Methylfuran-2-yl)-2,6-di(thiophen-3-yl)pyridine
CID 46224771
4-(5-Methylfuran-2-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-2-ylpyridine
CID 46224811
4-(5-Methylfuran-2-yl)-2,6-dithiophen-2-ylpyridine
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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-thiophen-2-yl-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 3-phenyl-1-thiophen-2-yl-[1]benzofuro[2,3-c]pyridine (CID 164667883) is 3-phenyl-1-thiophen-2-yl-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 3-phenyl-1-thiophen-2-yl-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 3-phenyl-1-thiophen-2-yl-[1]benzofuro[2,3-c]pyridine is c1ccc(-c2cc3c(oc4ccccc43)c(-c3cccs3)n2)cc1.
What is the InChIKey of 3-phenyl-1-thiophen-2-yl-[1]benzofuro[2,3-c]pyridine?
The InChIKey is SSCHOWHXPCTXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NOS/c1-2-7-14(8-3-1)17-13-16-15-9-4-5-10-18(15)23-21(16)20(22-17)19-11-6-12-24-19/h1-13H.
What are the key properties of 3-phenyl-1-thiophen-2-yl-[1]benzofuro[2,3-c]pyridine?
3-phenyl-1-thiophen-2-yl-[1]benzofuro[2,3-c]pyridine 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 3-phenyl-1-thiophen-2-yl-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 164667883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).