2-dibenzofuran-2-yl-6-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzothiophen-2-yl]pyridine

C46H26N2O2S — CID 58501560

IUPAC2-dibenzofuran-2-yl-6-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzothiophen-2-yl]pyridine
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)nc(-c2ccc3sc4ccc(-c5cccc(-c6ccc7oc8ccccc8c7c6)n5)cc4c3c2)c1
InChIInChI=1S/C46H26N2O2S/c1-3-13-41-31(7-1)33-23-27(15-19-43(33)49-41)37-9-5-11-39(47-37)29-17-21-45-35(25-29)36-26-30(18-22-46(36)51-45)40-12-6-10-38(48-40)28-16-20-44-34(24-28)32-8-2-4-14-42(32)50-44/h1-26H
InChIKeyWYDWLMIQAYPYLY-UHFFFAOYSA-N
MW670.79 g/mol
LogP13.31
Rot. Bonds4

About 2-dibenzofuran-2-yl-6-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzothiophen-2-yl]pyridine

2-dibenzofuran-2-yl-6-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzothiophen-2-yl]pyridine (PubChem CID 58501560) has the molecular formula C46H26N2O2S and a molecular weight of 670.79 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-6-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzothiophen-2-yl]pyridine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-6-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzothiophen-2-yl]pyridine
PubChem CID58501560
Molecular FormulaC46H26N2O2S
Molecular Weight670.79 g/mol
Exact Mass670.17
IUPAC Name2-dibenzofuran-2-yl-6-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzothiophen-2-yl]pyridine
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)nc(-c2ccc3sc4ccc(-c5cccc(-c6ccc7oc8ccccc8c7c6)n5)cc4c3c2)c1
InChIInChI=1S/C46H26N2O2S/c1-3-13-41-31(7-1)33-23-27(15-19-43(33)49-41)37-9-5-11-39(47-37)29-17-21-45-35(25-29)36-26-30(18-22-46(36)51-45)40-12-6-10-38(48-40)28-16-20-44-34(24-28)32-8-2-4-14-42(32)50-44/h1-26H
InChIKeyWYDWLMIQAYPYLY-UHFFFAOYSA-N
XLogP13.31
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.79
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-6-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzothiophen-2-yl]pyridine?
The IUPAC name of 2-dibenzofuran-2-yl-6-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzothiophen-2-yl]pyridine (CID 58501560) is 2-dibenzofuran-2-yl-6-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzothiophen-2-yl]pyridine.
What is the SMILES notation for 2-dibenzofuran-2-yl-6-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzothiophen-2-yl]pyridine?
The canonical SMILES for 2-dibenzofuran-2-yl-6-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzothiophen-2-yl]pyridine is c1cc(-c2ccc3oc4ccccc4c3c2)nc(-c2ccc3sc4ccc(-c5cccc(-c6ccc7oc8ccccc8c7c6)n5)cc4c3c2)c1.
What is the InChIKey of 2-dibenzofuran-2-yl-6-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzothiophen-2-yl]pyridine?
The InChIKey is WYDWLMIQAYPYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N2O2S/c1-3-13-41-31(7-1)33-23-27(15-19-43(33)49-41)37-9-5-11-39(47-37)29-17-21-45-35(25-29)36-26-30(18-22-46(36)51-45)40-12-6-10-38(48-40)28-16-20-44-34(24-28)32-8-2-4-14-42(32)50-44/h1-26H.
What are the key properties of 2-dibenzofuran-2-yl-6-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzothiophen-2-yl]pyridine?
2-dibenzofuran-2-yl-6-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzothiophen-2-yl]pyridine has a molecular weight of 670.79 g/mol, XLogP of 13.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-6-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzothiophen-2-yl]pyridine is sourced from PubChem (CID 58501560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).