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

C29H17NOS — CID 58050216

IUPAC4-dibenzofuran-4-yl-2-dibenzothiophen-4-ylpyridine
SMILESc1ccc2c(c1)oc1c(-c3ccnc(-c4cccc5c4sc4ccccc45)c3)cccc12
InChIInChI=1S/C29H17NOS/c1-3-13-26-20(7-1)22-10-5-9-19(28(22)31-26)18-15-16-30-25(17-18)24-12-6-11-23-21-8-2-4-14-27(21)32-29(23)24/h1-17H
InChIKeyGFXNBRBQDXKAJH-UHFFFAOYSA-N
MW427.53 g/mol
LogP8.68
Rot. Bonds2

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

4-dibenzofuran-4-yl-2-dibenzothiophen-4-ylpyridine (PubChem CID 58050216) has the molecular formula C29H17NOS and a molecular weight of 427.53 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-2-dibenzothiophen-4-ylpyridine.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-2-dibenzothiophen-4-ylpyridine
PubChem CID58050216
Molecular FormulaC29H17NOS
Molecular Weight427.53 g/mol
Exact Mass427.10
IUPAC Name4-dibenzofuran-4-yl-2-dibenzothiophen-4-ylpyridine
SMILESc1ccc2c(c1)oc1c(-c3ccnc(-c4cccc5c4sc4ccccc45)c3)cccc12
InChIInChI=1S/C29H17NOS/c1-3-13-26-20(7-1)22-10-5-9-19(28(22)31-26)18-15-16-30-25(17-18)24-12-6-11-23-21-8-2-4-14-27(21)32-29(23)24/h1-17H
InChIKeyGFXNBRBQDXKAJH-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 4-dibenzofuran-4-yl-2-dibenzothiophen-4-ylpyridine?
The IUPAC name of 4-dibenzofuran-4-yl-2-dibenzothiophen-4-ylpyridine (CID 58050216) is 4-dibenzofuran-4-yl-2-dibenzothiophen-4-ylpyridine.
What is the SMILES notation for 4-dibenzofuran-4-yl-2-dibenzothiophen-4-ylpyridine?
The canonical SMILES for 4-dibenzofuran-4-yl-2-dibenzothiophen-4-ylpyridine is c1ccc2c(c1)oc1c(-c3ccnc(-c4cccc5c4sc4ccccc45)c3)cccc12.
What is the InChIKey of 4-dibenzofuran-4-yl-2-dibenzothiophen-4-ylpyridine?
The InChIKey is GFXNBRBQDXKAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17NOS/c1-3-13-26-20(7-1)22-10-5-9-19(28(22)31-26)18-15-16-30-25(17-18)24-12-6-11-23-21-8-2-4-14-27(21)32-29(23)24/h1-17H.
What are the key properties of 4-dibenzofuran-4-yl-2-dibenzothiophen-4-ylpyridine?
4-dibenzofuran-4-yl-2-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 4-dibenzofuran-4-yl-2-dibenzothiophen-4-ylpyridine is sourced from PubChem (CID 58050216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).