2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-[1]benzofuro[3,2-b]quinoxaline

C36H20N2OS — CID 134273465

IUPAC2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-[1]benzofuro[3,2-b]quinoxaline
SMILESc1ccc2nc3c(nc2c1)oc1ccc(-c2cccc4c(-c5cccc6c5sc5ccccc56)cccc24)cc13
InChIInChI=1S/C36H20N2OS/c1-4-17-33-26(8-1)28-14-7-13-27(35(28)40-33)25-12-6-10-23-22(9-5-11-24(23)25)21-18-19-32-29(20-21)34-36(39-32)38-31-16-3-2-15-30(31)37-34/h1-20H
InChIKeyHXLKOPVSTCSVHZ-UHFFFAOYSA-N
MW528.64 g/mol
LogP10.38
Rot. Bonds2

About 2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-[1]benzofuro[3,2-b]quinoxaline

2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-[1]benzofuro[3,2-b]quinoxaline (PubChem CID 134273465) has the molecular formula C36H20N2OS and a molecular weight of 528.64 g/mol. Its IUPAC name is 2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-[1]benzofuro[3,2-b]quinoxaline.

Molecular Properties

Compound Name2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-[1]benzofuro[3,2-b]quinoxaline
PubChem CID134273465
Molecular FormulaC36H20N2OS
Molecular Weight528.64 g/mol
Exact Mass528.13
IUPAC Name2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-[1]benzofuro[3,2-b]quinoxaline
SMILESc1ccc2nc3c(nc2c1)oc1ccc(-c2cccc4c(-c5cccc6c5sc5ccccc56)cccc24)cc13
InChIInChI=1S/C36H20N2OS/c1-4-17-33-26(8-1)28-14-7-13-27(35(28)40-33)25-12-6-10-23-22(9-5-11-24(23)25)21-18-19-32-29(20-21)34-36(39-32)38-31-16-3-2-15-30(31)37-34/h1-20H
InChIKeyHXLKOPVSTCSVHZ-UHFFFAOYSA-N
XLogP10.38
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.64
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-[1]benzofuro[3,2-b]quinoxaline?
The IUPAC name of 2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-[1]benzofuro[3,2-b]quinoxaline (CID 134273465) is 2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-[1]benzofuro[3,2-b]quinoxaline.
What is the SMILES notation for 2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-[1]benzofuro[3,2-b]quinoxaline?
The canonical SMILES for 2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-[1]benzofuro[3,2-b]quinoxaline is c1ccc2nc3c(nc2c1)oc1ccc(-c2cccc4c(-c5cccc6c5sc5ccccc56)cccc24)cc13.
What is the InChIKey of 2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-[1]benzofuro[3,2-b]quinoxaline?
The InChIKey is HXLKOPVSTCSVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20N2OS/c1-4-17-33-26(8-1)28-14-7-13-27(35(28)40-33)25-12-6-10-23-22(9-5-11-24(23)25)21-18-19-32-29(20-21)34-36(39-32)38-31-16-3-2-15-30(31)37-34/h1-20H.
What are the key properties of 2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-[1]benzofuro[3,2-b]quinoxaline?
2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-[1]benzofuro[3,2-b]quinoxaline has a molecular weight of 528.64 g/mol, XLogP of 10.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-[1]benzofuro[3,2-b]quinoxaline is sourced from PubChem (CID 134273465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).