9-dibenzothiophen-2-yl-2-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]quinoxaline

C38H20N2OS2 — CID 134273478

IUPAC9-dibenzothiophen-2-yl-2-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]quinoxaline
SMILESc1ccc2c(c1)sc1ccc(-c3ccc4nc5oc6ccc(-c7cccc8c7sc7ccccc78)cc6c5nc4c3)cc12
InChIInChI=1S/C38H20N2OS2/c1-4-11-34-25(6-1)27-9-5-8-24(37(27)43-34)23-13-16-32-29(19-23)36-38(41-32)40-30-15-12-22(20-31(30)39-36)21-14-17-35-28(18-21)26-7-2-3-10-33(26)42-35/h1-20H
InChIKeyCKTCYHYJEFTLSA-UHFFFAOYSA-N
MW584.73 g/mol
LogP11.60
Rot. Bonds2

About 9-dibenzothiophen-2-yl-2-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]quinoxaline

9-dibenzothiophen-2-yl-2-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]quinoxaline (PubChem CID 134273478) has the molecular formula C38H20N2OS2 and a molecular weight of 584.73 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-2-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]quinoxaline.

Molecular Properties

Compound Name9-dibenzothiophen-2-yl-2-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]quinoxaline
PubChem CID134273478
Molecular FormulaC38H20N2OS2
Molecular Weight584.73 g/mol
Exact Mass584.10
IUPAC Name9-dibenzothiophen-2-yl-2-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]quinoxaline
SMILESc1ccc2c(c1)sc1ccc(-c3ccc4nc5oc6ccc(-c7cccc8c7sc7ccccc78)cc6c5nc4c3)cc12
InChIInChI=1S/C38H20N2OS2/c1-4-11-34-25(6-1)27-9-5-8-24(37(27)43-34)23-13-16-32-29(19-23)36-38(41-32)40-30-15-12-22(20-31(30)39-36)21-14-17-35-28(18-21)26-7-2-3-10-33(26)42-35/h1-20H
InChIKeyCKTCYHYJEFTLSA-UHFFFAOYSA-N
XLogP11.60
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.73
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,9-bis[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[2,3-b]quinoxaline
CID 134273503
9-dibenzofuran-2-yl-2-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]quinoxaline
CID 134273482
2-[3-(6-phenyldibenzothiophen-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoxaline
CID 134273443
17-(3-dibenzothiophen-4-ylphenyl)-12-oxa-14,21-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15(20),16,18-decaene
CID 162489714
2-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline;2-(3-dibenzofuran-3-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline;2-(3-dibenzothiophen-2-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline;2-(3-dibenzothiophen-3-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline;2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-[1]benzofuro[3,2-b]quinoxaline;2-[3-(3-dibenzothiophen-3-ylphenyl)phenyl]-[1]benzofuro[3,2-b]quinoxaline;2-(3-naphtho[1,2-b][1]benzothiol-5-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline
CID 158560598
2,8-bis(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline
CID 134273557
2,9-bis(3-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
CID 134273485
2,8-bis[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[2,3-b]pyrazine
CID 146600430
2,9-bis(3-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline;2,9-bis(3-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline;2-dibenzofuran-4-yl-9-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]quinoxaline;9-dibenzofuran-4-yl-2-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]quinoxaline;2,9-di(dibenzofuran-4-yl)-[1]benzofuro[2,3-b]quinoxaline;2,9-di(dibenzothiophen-4-yl)-[1]benzofuro[2,3-b]quinoxaline;2-(3-naphthalen-1-ylphenyl)-9-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline;10-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
CID 159783478
8-dibenzothiophen-4-yl-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine
CID 146600326
2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-[1]benzofuro[3,2-b]quinoxaline
CID 134273470
2,9-bis(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
CID 134273510

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-2-yl-2-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]quinoxaline?
The IUPAC name of 9-dibenzothiophen-2-yl-2-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]quinoxaline (CID 134273478) is 9-dibenzothiophen-2-yl-2-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]quinoxaline.
What is the SMILES notation for 9-dibenzothiophen-2-yl-2-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]quinoxaline?
The canonical SMILES for 9-dibenzothiophen-2-yl-2-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]quinoxaline is c1ccc2c(c1)sc1ccc(-c3ccc4nc5oc6ccc(-c7cccc8c7sc7ccccc78)cc6c5nc4c3)cc12.
What is the InChIKey of 9-dibenzothiophen-2-yl-2-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]quinoxaline?
The InChIKey is CKTCYHYJEFTLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N2OS2/c1-4-11-34-25(6-1)27-9-5-8-24(37(27)43-34)23-13-16-32-29(19-23)36-38(41-32)40-30-15-12-22(20-31(30)39-36)21-14-17-35-28(18-21)26-7-2-3-10-33(26)42-35/h1-20H.
What are the key properties of 9-dibenzothiophen-2-yl-2-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]quinoxaline?
9-dibenzothiophen-2-yl-2-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]quinoxaline has a molecular weight of 584.73 g/mol, XLogP of 11.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-2-yl-2-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]quinoxaline is sourced from PubChem (CID 134273478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).