2-[6-(5-methoxythiophen-3-yl)dibenzothiophen-4-yl]pyridine

C22H15NOS2 — CID 139509766

IUPAC2-[6-(5-methoxythiophen-3-yl)dibenzothiophen-4-yl]pyridine
SMILESCOc1cc(-c2cccc3c2sc2c(-c4ccccn4)cccc23)cs1
InChIInChI=1S/C22H15NOS2/c1-24-20-12-14(13-25-20)15-6-4-7-16-17-8-5-9-18(22(17)26-21(15)16)19-10-2-3-11-23-19/h2-13H,1H3
InChIKeyYQVBNAASDMEWPH-UHFFFAOYSA-N
MW373.50 g/mol
LogP6.85
Rot. Bonds3

About 2-[6-(5-methoxythiophen-3-yl)dibenzothiophen-4-yl]pyridine

2-[6-(5-methoxythiophen-3-yl)dibenzothiophen-4-yl]pyridine (PubChem CID 139509766) has the molecular formula C22H15NOS2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[6-(5-methoxythiophen-3-yl)dibenzothiophen-4-yl]pyridine.

Molecular Properties

Compound Name2-[6-(5-methoxythiophen-3-yl)dibenzothiophen-4-yl]pyridine
PubChem CID139509766
Molecular FormulaC22H15NOS2
Molecular Weight373.50 g/mol
Exact Mass373.06
IUPAC Name2-[6-(5-methoxythiophen-3-yl)dibenzothiophen-4-yl]pyridine
SMILESCOc1cc(-c2cccc3c2sc2c(-c4ccccn4)cccc23)cs1
InChIInChI=1S/C22H15NOS2/c1-24-20-12-14(13-25-20)15-6-4-7-16-17-8-5-9-18(22(17)26-21(15)16)19-10-2-3-11-23-19/h2-13H,1H3
InChIKeyYQVBNAASDMEWPH-UHFFFAOYSA-N
XLogP6.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-methoxythiophen-3-yl)dibenzothiophen-4-yl]pyridine?
The IUPAC name of 2-[6-(5-methoxythiophen-3-yl)dibenzothiophen-4-yl]pyridine (CID 139509766) is 2-[6-(5-methoxythiophen-3-yl)dibenzothiophen-4-yl]pyridine.
What is the SMILES notation for 2-[6-(5-methoxythiophen-3-yl)dibenzothiophen-4-yl]pyridine?
The canonical SMILES for 2-[6-(5-methoxythiophen-3-yl)dibenzothiophen-4-yl]pyridine is COc1cc(-c2cccc3c2sc2c(-c4ccccn4)cccc23)cs1.
What is the InChIKey of 2-[6-(5-methoxythiophen-3-yl)dibenzothiophen-4-yl]pyridine?
The InChIKey is YQVBNAASDMEWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NOS2/c1-24-20-12-14(13-25-20)15-6-4-7-16-17-8-5-9-18(22(17)26-21(15)16)19-10-2-3-11-23-19/h2-13H,1H3.
What are the key properties of 2-[6-(5-methoxythiophen-3-yl)dibenzothiophen-4-yl]pyridine?
2-[6-(5-methoxythiophen-3-yl)dibenzothiophen-4-yl]pyridine has a molecular weight of 373.50 g/mol, XLogP of 6.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-methoxythiophen-3-yl)dibenzothiophen-4-yl]pyridine is sourced from PubChem (CID 139509766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).