2-dibenzofuran-2-yl-6-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)pyridine

C41H23NOS2 — CID 137466524

IUPAC2-dibenzofuran-2-yl-6-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)pyridine
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)nc(-c2ccc3sc4ccc(-c5ccc6sc7ccccc7c6c5)cc4c3c2)c1
InChIInChI=1S/C41H23NOS2/c1-3-10-36-28(6-1)30-22-26(12-16-37(30)43-36)34-8-5-9-35(42-34)27-15-19-41-33(23-27)32-21-25(14-18-40(32)45-41)24-13-17-39-31(20-24)29-7-2-4-11-38(29)44-39/h1-23H
InChIKeyMXLNYWGWXOVOMX-UHFFFAOYSA-N
MW609.78 g/mol
LogP12.72
Rot. Bonds3

About 2-dibenzofuran-2-yl-6-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)pyridine

2-dibenzofuran-2-yl-6-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)pyridine (PubChem CID 137466524) has the molecular formula C41H23NOS2 and a molecular weight of 609.78 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-6-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)pyridine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-6-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)pyridine
PubChem CID137466524
Molecular FormulaC41H23NOS2
Molecular Weight609.78 g/mol
Exact Mass609.12
IUPAC Name2-dibenzofuran-2-yl-6-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)pyridine
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)nc(-c2ccc3sc4ccc(-c5ccc6sc7ccccc7c6c5)cc4c3c2)c1
InChIInChI=1S/C41H23NOS2/c1-3-10-36-28(6-1)30-22-26(12-16-37(30)43-36)34-8-5-9-35(42-34)27-15-19-41-33(23-27)32-21-25(14-18-40(32)45-41)24-13-17-39-31(20-24)29-7-2-4-11-38(29)44-39/h1-23H
InChIKeyMXLNYWGWXOVOMX-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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Related Compounds

2-dibenzofuran-2-yl-6-(8-phenyldibenzothiophen-2-yl)pyridine
CID 170670772
2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran
CID 137466525
2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran
CID 90265513
9-[8-(6-dibenzothiophen-2-yl-2-pyridinyl)dibenzofuran-2-yl]carbazole
CID 89433743
2-(3-dibenzothiophen-2-ylphenyl)-8-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265527
4-dibenzothiophen-2-yl-2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenylpyrimidine
CID 137465858
7-dibenzothiophen-2-yl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene
CID 153303323
2-dibenzofuran-2-yl-4-(10-dibenzothiophen-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine
CID 169294112
4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline
CID 157275659
4-dibenzofuran-3-yl-2-dibenzothiophen-2-yl-6-dibenzothiophen-3-ylpyrimidine
CID 138736532
2-(8-dibenzofuran-2-yldibenzothiophen-3-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139549099
3-(6-carbazol-9-yl-2-pyridinyl)-9-dibenzothiophen-1-ylcarbazole;3-(6-dibenzofuran-2-yl-2-pyridinyl)-9-dibenzothiophen-1-ylcarbazole;9-dibenzothiophen-1-yl-3-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazole
CID 160801081

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-6-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)pyridine?
The IUPAC name of 2-dibenzofuran-2-yl-6-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)pyridine (CID 137466524) is 2-dibenzofuran-2-yl-6-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)pyridine.
What is the SMILES notation for 2-dibenzofuran-2-yl-6-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)pyridine?
The canonical SMILES for 2-dibenzofuran-2-yl-6-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)pyridine is c1cc(-c2ccc3oc4ccccc4c3c2)nc(-c2ccc3sc4ccc(-c5ccc6sc7ccccc7c6c5)cc4c3c2)c1.
What is the InChIKey of 2-dibenzofuran-2-yl-6-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)pyridine?
The InChIKey is MXLNYWGWXOVOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H23NOS2/c1-3-10-36-28(6-1)30-22-26(12-16-37(30)43-36)34-8-5-9-35(42-34)27-15-19-41-33(23-27)32-21-25(14-18-40(32)45-41)24-13-17-39-31(20-24)29-7-2-4-11-38(29)44-39/h1-23H.
What are the key properties of 2-dibenzofuran-2-yl-6-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)pyridine?
2-dibenzofuran-2-yl-6-(8-dibenzothiophen-2-yldibenzothiophen-2-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 2-dibenzofuran-2-yl-6-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)pyridine is sourced from PubChem (CID 137466524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).