9-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline

C32H18N2OS — CID 134273463

IUPAC9-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
SMILESc1cc(-c2ccc3nc4oc5ccccc5c4nc3c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C32H18N2OS/c1-3-13-28-25(10-1)30-32(35-28)34-26-16-15-20(18-27(26)33-30)19-7-5-8-21(17-19)22-11-6-12-24-23-9-2-4-14-29(23)36-31(22)24/h1-18H
InChIKeyQQVZRKWSXIAHLG-UHFFFAOYSA-N
MW478.58 g/mol
LogP9.23
Rot. Bonds2

About 9-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline

9-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline (PubChem CID 134273463) has the molecular formula C32H18N2OS and a molecular weight of 478.58 g/mol. Its IUPAC name is 9-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline.

Molecular Properties

Compound Name9-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
PubChem CID134273463
Molecular FormulaC32H18N2OS
Molecular Weight478.58 g/mol
Exact Mass478.11
IUPAC Name9-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
SMILESc1cc(-c2ccc3nc4oc5ccccc5c4nc3c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C32H18N2OS/c1-3-13-28-25(10-1)30-32(35-28)34-26-16-15-20(18-27(26)33-30)19-7-5-8-21(17-19)22-11-6-12-24-23-9-2-4-14-29(23)36-31(22)24/h1-18H
InChIKeyQQVZRKWSXIAHLG-UHFFFAOYSA-N
XLogP9.23
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.58
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline?
The IUPAC name of 9-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline (CID 134273463) is 9-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline.
What is the SMILES notation for 9-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline?
The canonical SMILES for 9-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline is c1cc(-c2ccc3nc4oc5ccccc5c4nc3c2)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 9-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline?
The InChIKey is QQVZRKWSXIAHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N2OS/c1-3-13-28-25(10-1)30-32(35-28)34-26-16-15-20(18-27(26)33-30)19-7-5-8-21(17-19)22-11-6-12-24-23-9-2-4-14-29(23)36-31(22)24/h1-18H.
What are the key properties of 9-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline?
9-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline has a molecular weight of 478.58 g/mol, XLogP of 9.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline is sourced from PubChem (CID 134273463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).