4-dibenzofuran-4-yl-2,6-di(dibenzothiophen-4-yl)pyridine

C41H23NOS2 — CID 58050223

IUPAC4-dibenzofuran-4-yl-2,6-di(dibenzothiophen-4-yl)pyridine
SMILESc1ccc2c(c1)oc1c(-c3cc(-c4cccc5c4sc4ccccc45)nc(-c4cccc5c4sc4ccccc45)c3)cccc12
InChIInChI=1S/C41H23NOS2/c1-4-19-36-26(10-1)29-14-7-13-25(39(29)43-36)24-22-34(32-17-8-15-30-27-11-2-5-20-37(27)44-40(30)32)42-35(23-24)33-18-9-16-31-28-12-3-6-21-38(28)45-41(31)33/h1-23H
InChIKeyBNWIUPJFRUJOAO-UHFFFAOYSA-N
MW609.78 g/mol
LogP12.72
Rot. Bonds3

About 4-dibenzofuran-4-yl-2,6-di(dibenzothiophen-4-yl)pyridine

4-dibenzofuran-4-yl-2,6-di(dibenzothiophen-4-yl)pyridine (PubChem CID 58050223) has the molecular formula C41H23NOS2 and a molecular weight of 609.78 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-2,6-di(dibenzothiophen-4-yl)pyridine.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-2,6-di(dibenzothiophen-4-yl)pyridine
PubChem CID58050223
Molecular FormulaC41H23NOS2
Molecular Weight609.78 g/mol
Exact Mass609.12
IUPAC Name4-dibenzofuran-4-yl-2,6-di(dibenzothiophen-4-yl)pyridine
SMILESc1ccc2c(c1)oc1c(-c3cc(-c4cccc5c4sc4ccccc45)nc(-c4cccc5c4sc4ccccc45)c3)cccc12
InChIInChI=1S/C41H23NOS2/c1-4-19-36-26(10-1)29-14-7-13-25(39(29)43-36)24-22-34(32-17-8-15-30-27-11-2-5-20-37(27)44-40(30)32)42-35(23-24)33-18-9-16-31-28-12-3-6-21-38(28)45-41(31)33/h1-23H
InChIKeyBNWIUPJFRUJOAO-UHFFFAOYSA-N
XLogP12.72
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.78
LogP ≤ 512.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-2,6-di(dibenzothiophen-4-yl)pyridine?
The IUPAC name of 4-dibenzofuran-4-yl-2,6-di(dibenzothiophen-4-yl)pyridine (CID 58050223) is 4-dibenzofuran-4-yl-2,6-di(dibenzothiophen-4-yl)pyridine.
What is the SMILES notation for 4-dibenzofuran-4-yl-2,6-di(dibenzothiophen-4-yl)pyridine?
The canonical SMILES for 4-dibenzofuran-4-yl-2,6-di(dibenzothiophen-4-yl)pyridine is c1ccc2c(c1)oc1c(-c3cc(-c4cccc5c4sc4ccccc45)nc(-c4cccc5c4sc4ccccc45)c3)cccc12.
What is the InChIKey of 4-dibenzofuran-4-yl-2,6-di(dibenzothiophen-4-yl)pyridine?
The InChIKey is BNWIUPJFRUJOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H23NOS2/c1-4-19-36-26(10-1)29-14-7-13-25(39(29)43-36)24-22-34(32-17-8-15-30-27-11-2-5-20-37(27)44-40(30)32)42-35(23-24)33-18-9-16-31-28-12-3-6-21-38(28)45-41(31)33/h1-23H.
What are the key properties of 4-dibenzofuran-4-yl-2,6-di(dibenzothiophen-4-yl)pyridine?
4-dibenzofuran-4-yl-2,6-di(dibenzothiophen-4-yl)pyridine has a molecular weight of 609.78 g/mol, XLogP of 12.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-2,6-di(dibenzothiophen-4-yl)pyridine is sourced from PubChem (CID 58050223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).