2-(3-dibenzothiophen-2-ylphenyl)-8-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine

C53H31NOS2 — CID 90265527

IUPAC2-(3-dibenzothiophen-2-ylphenyl)-8-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1cc(-c2cccc(-c3ccc4oc5ccc(-c6cccc(-c7ccc8sc9ccccc9c8c7)c6)nc5c4c3)c2)cc(-c2ccc3sc4ccccc4c3c2)c1
InChIInChI=1S/C53H31NOS2/c1-3-16-49-41(14-1)43-29-38(19-24-51(43)56-49)35-11-6-9-33(27-35)32-8-5-10-34(26-32)37-18-22-47-45(31-37)53-48(55-47)23-21-46(54-53)40-13-7-12-36(28-40)39-20-25-52-44(30-39)42-15-2-4-17-50(42)57-52/h1-31H
InChIKeyQCAFKCWWARKRCD-UHFFFAOYSA-N
MW761.97 g/mol
LogP16.05
Rot. Bonds5

About 2-(3-dibenzothiophen-2-ylphenyl)-8-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine

2-(3-dibenzothiophen-2-ylphenyl)-8-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 90265527) has the molecular formula C53H31NOS2 and a molecular weight of 761.97 g/mol. Its IUPAC name is 2-(3-dibenzothiophen-2-ylphenyl)-8-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name2-(3-dibenzothiophen-2-ylphenyl)-8-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID90265527
Molecular FormulaC53H31NOS2
Molecular Weight761.97 g/mol
Exact Mass761.18
IUPAC Name2-(3-dibenzothiophen-2-ylphenyl)-8-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1cc(-c2cccc(-c3ccc4oc5ccc(-c6cccc(-c7ccc8sc9ccccc9c8c7)c6)nc5c4c3)c2)cc(-c2ccc3sc4ccccc4c3c2)c1
InChIInChI=1S/C53H31NOS2/c1-3-16-49-41(14-1)43-29-38(19-24-51(43)56-49)35-11-6-9-33(27-35)32-8-5-10-34(26-32)37-18-22-47-45(31-37)53-48(55-47)23-21-46(54-53)40-13-7-12-36(28-40)39-20-25-52-44(30-39)42-15-2-4-17-50(42)57-52/h1-31H
InChIKeyQCAFKCWWARKRCD-UHFFFAOYSA-N
XLogP16.05
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.97
LogP ≤ 516.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-2-yl-6-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)pyridine
CID 137466524
2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran
CID 90265513
2-dibenzofuran-2-yl-6-(8-phenyldibenzothiophen-2-yl)pyridine
CID 170670772
4-dibenzothiophen-2-yl-2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenylpyrimidine
CID 137465858
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 90050126
8-[3-[3-[8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265559
2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran
CID 137466525
2-(7-dibenzothiophen-2-ylphenanthren-2-yl)-9-phenyl-1,10-phenanthroline
CID 134410357
3-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine
CID 58410043
2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 163871396
9-[8-(6-dibenzothiophen-2-yl-2-pyridinyl)dibenzofuran-2-yl]carbazole
CID 89433743
4-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-8-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 156578604

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzothiophen-2-ylphenyl)-8-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 2-(3-dibenzothiophen-2-ylphenyl)-8-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine (CID 90265527) is 2-(3-dibenzothiophen-2-ylphenyl)-8-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 2-(3-dibenzothiophen-2-ylphenyl)-8-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 2-(3-dibenzothiophen-2-ylphenyl)-8-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine is c1cc(-c2cccc(-c3ccc4oc5ccc(-c6cccc(-c7ccc8sc9ccccc9c8c7)c6)nc5c4c3)c2)cc(-c2ccc3sc4ccccc4c3c2)c1.
What is the InChIKey of 2-(3-dibenzothiophen-2-ylphenyl)-8-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is QCAFKCWWARKRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31NOS2/c1-3-16-49-41(14-1)43-29-38(19-24-51(43)56-49)35-11-6-9-33(27-35)32-8-5-10-34(26-32)37-18-22-47-45(31-37)53-48(55-47)23-21-46(54-53)40-13-7-12-36(28-40)39-20-25-52-44(30-39)42-15-2-4-17-50(42)57-52/h1-31H.
What are the key properties of 2-(3-dibenzothiophen-2-ylphenyl)-8-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine?
2-(3-dibenzothiophen-2-ylphenyl)-8-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 761.97 g/mol, XLogP of 16.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzothiophen-2-ylphenyl)-8-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 90265527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).