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

C32H18N2OS — CID 134273412

IUPAC2-(2-dibenzothiophen-4-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline
SMILESc1ccc(-c2cccc3c2sc2ccccc23)c(-c2ccc3oc4nc5ccccc5nc4c3c2)c1
InChIInChI=1S/C32H18N2OS/c1-2-9-21(23-11-7-12-24-22-10-3-6-15-29(22)36-31(23)24)20(8-1)19-16-17-28-25(18-19)30-32(35-28)34-27-14-5-4-13-26(27)33-30/h1-18H
InChIKeyRYTXQRACVPZOES-UHFFFAOYSA-N
MW478.58 g/mol
LogP9.23
Rot. Bonds2

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

2-(2-dibenzothiophen-4-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline (PubChem CID 134273412) has the molecular formula C32H18N2OS and a molecular weight of 478.58 g/mol. Its IUPAC name is 2-(2-dibenzothiophen-4-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline.

Molecular Properties

Compound Name2-(2-dibenzothiophen-4-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline
PubChem CID134273412
Molecular FormulaC32H18N2OS
Molecular Weight478.58 g/mol
Exact Mass478.11
IUPAC Name2-(2-dibenzothiophen-4-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline
SMILESc1ccc(-c2cccc3c2sc2ccccc23)c(-c2ccc3oc4nc5ccccc5nc4c3c2)c1
InChIInChI=1S/C32H18N2OS/c1-2-9-21(23-11-7-12-24-22-10-3-6-15-29(22)36-31(23)24)20(8-1)19-16-17-28-25(18-19)30-32(35-28)34-27-14-5-4-13-26(27)33-30/h1-18H
InChIKeyRYTXQRACVPZOES-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 2-(2-dibenzothiophen-4-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline?
The IUPAC name of 2-(2-dibenzothiophen-4-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline (CID 134273412) is 2-(2-dibenzothiophen-4-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline.
What is the SMILES notation for 2-(2-dibenzothiophen-4-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline?
The canonical SMILES for 2-(2-dibenzothiophen-4-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline is c1ccc(-c2cccc3c2sc2ccccc23)c(-c2ccc3oc4nc5ccccc5nc4c3c2)c1.
What is the InChIKey of 2-(2-dibenzothiophen-4-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline?
The InChIKey is RYTXQRACVPZOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N2OS/c1-2-9-21(23-11-7-12-24-22-10-3-6-15-29(22)36-31(23)24)20(8-1)19-16-17-28-25(18-19)30-32(35-28)34-27-14-5-4-13-26(27)33-30/h1-18H.
What are the key properties of 2-(2-dibenzothiophen-4-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline?
2-(2-dibenzothiophen-4-ylphenyl)-[1]benzofuro[3,2-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 2-(2-dibenzothiophen-4-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline is sourced from PubChem (CID 134273412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).