2-dibenzofuran-4-yl-4-dibenzothiophen-4-ylpyridine

C29H17NOS — CID 58050206

IUPAC2-dibenzofuran-4-yl-4-dibenzothiophen-4-ylpyridine
SMILESc1ccc2c(c1)oc1c(-c3cc(-c4cccc5c4sc4ccccc45)ccn3)cccc12
InChIInChI=1S/C29H17NOS/c1-3-13-26-20(7-1)22-10-6-12-24(28(22)31-26)25-17-18(15-16-30-25)19-9-5-11-23-21-8-2-4-14-27(21)32-29(19)23/h1-17H
InChIKeyUBGGPLLJQVETAG-UHFFFAOYSA-N
MW427.53 g/mol
LogP8.68
Rot. Bonds2

About 2-dibenzofuran-4-yl-4-dibenzothiophen-4-ylpyridine

2-dibenzofuran-4-yl-4-dibenzothiophen-4-ylpyridine (PubChem CID 58050206) has the molecular formula C29H17NOS and a molecular weight of 427.53 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-dibenzothiophen-4-ylpyridine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-dibenzothiophen-4-ylpyridine
PubChem CID58050206
Molecular FormulaC29H17NOS
Molecular Weight427.53 g/mol
Exact Mass427.10
IUPAC Name2-dibenzofuran-4-yl-4-dibenzothiophen-4-ylpyridine
SMILESc1ccc2c(c1)oc1c(-c3cc(-c4cccc5c4sc4ccccc45)ccn3)cccc12
InChIInChI=1S/C29H17NOS/c1-3-13-26-20(7-1)22-10-6-12-24(28(22)31-26)25-17-18(15-16-30-25)19-9-5-11-23-21-8-2-4-14-27(21)32-29(19)23/h1-17H
InChIKeyUBGGPLLJQVETAG-UHFFFAOYSA-N
XLogP8.68
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.53
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-dibenzothiophen-4-ylpyridine?
The IUPAC name of 2-dibenzofuran-4-yl-4-dibenzothiophen-4-ylpyridine (CID 58050206) is 2-dibenzofuran-4-yl-4-dibenzothiophen-4-ylpyridine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-dibenzothiophen-4-ylpyridine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-dibenzothiophen-4-ylpyridine is c1ccc2c(c1)oc1c(-c3cc(-c4cccc5c4sc4ccccc45)ccn3)cccc12.
What is the InChIKey of 2-dibenzofuran-4-yl-4-dibenzothiophen-4-ylpyridine?
The InChIKey is UBGGPLLJQVETAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17NOS/c1-3-13-26-20(7-1)22-10-6-12-24(28(22)31-26)25-17-18(15-16-30-25)19-9-5-11-23-21-8-2-4-14-27(21)32-29(19)23/h1-17H.
What are the key properties of 2-dibenzofuran-4-yl-4-dibenzothiophen-4-ylpyridine?
2-dibenzofuran-4-yl-4-dibenzothiophen-4-ylpyridine has a molecular weight of 427.53 g/mol, XLogP of 8.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-dibenzothiophen-4-ylpyridine is sourced from PubChem (CID 58050206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).