2-dibenzothiophen-4-yl-6-(3-methoxyphenyl)pyridine

C24H17NOS — CID 59489261

IUPAC2-dibenzothiophen-4-yl-6-(3-methoxyphenyl)pyridine
SMILESCOc1cccc(-c2cccc(-c3cccc4c3sc3ccccc34)n2)c1
InChIInChI=1S/C24H17NOS/c1-26-17-8-4-7-16(15-17)21-12-6-13-22(25-21)20-11-5-10-19-18-9-2-3-14-23(18)27-24(19)20/h2-15H,1H3
InChIKeyKCPRQZFQDWMDTD-UHFFFAOYSA-N
MW367.47 g/mol
LogP6.79
Rot. Bonds3

About 2-dibenzothiophen-4-yl-6-(3-methoxyphenyl)pyridine

2-dibenzothiophen-4-yl-6-(3-methoxyphenyl)pyridine (PubChem CID 59489261) has the molecular formula C24H17NOS and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-6-(3-methoxyphenyl)pyridine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-6-(3-methoxyphenyl)pyridine
PubChem CID59489261
Molecular FormulaC24H17NOS
Molecular Weight367.47 g/mol
Exact Mass367.10
IUPAC Name2-dibenzothiophen-4-yl-6-(3-methoxyphenyl)pyridine
SMILESCOc1cccc(-c2cccc(-c3cccc4c3sc3ccccc34)n2)c1
InChIInChI=1S/C24H17NOS/c1-26-17-8-4-7-16(15-17)21-12-6-13-22(25-21)20-11-5-10-19-18-9-2-3-14-23(18)27-24(19)20/h2-15H,1H3
InChIKeyKCPRQZFQDWMDTD-UHFFFAOYSA-N
XLogP6.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.47
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-6-(3-methoxyphenyl)pyridine?
The IUPAC name of 2-dibenzothiophen-4-yl-6-(3-methoxyphenyl)pyridine (CID 59489261) is 2-dibenzothiophen-4-yl-6-(3-methoxyphenyl)pyridine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-6-(3-methoxyphenyl)pyridine?
The canonical SMILES for 2-dibenzothiophen-4-yl-6-(3-methoxyphenyl)pyridine is COc1cccc(-c2cccc(-c3cccc4c3sc3ccccc34)n2)c1.
What is the InChIKey of 2-dibenzothiophen-4-yl-6-(3-methoxyphenyl)pyridine?
The InChIKey is KCPRQZFQDWMDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NOS/c1-26-17-8-4-7-16(15-17)21-12-6-13-22(25-21)20-11-5-10-19-18-9-2-3-14-23(18)27-24(19)20/h2-15H,1H3.
What are the key properties of 2-dibenzothiophen-4-yl-6-(3-methoxyphenyl)pyridine?
2-dibenzothiophen-4-yl-6-(3-methoxyphenyl)pyridine has a molecular weight of 367.47 g/mol, XLogP of 6.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-6-(3-methoxyphenyl)pyridine is sourced from PubChem (CID 59489261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).