5-[3,5-di(dibenzofuran-4-yl)phenyl]pyrazino[2,3-f]quinoxaline

C40H22N4O2 — CID 123492661

IUPAC5-[3,5-di(dibenzofuran-4-yl)phenyl]pyrazino[2,3-f]quinoxaline
SMILESc1ccc2c(c1)oc1c(-c3cc(-c4cc5nccnc5c5nccnc45)cc(-c4cccc5c4oc4ccccc45)c3)cccc12
InChIInChI=1S/C40H22N4O2/c1-3-13-34-28(7-1)30-11-5-9-26(39(30)45-34)23-19-24(27-10-6-12-31-29-8-2-4-14-35(29)46-40(27)31)21-25(20-23)32-22-33-37(43-16-15-41-33)38-36(32)42-17-18-44-38/h1-22H
InChIKeyBTMNLSQLLWDEPG-UHFFFAOYSA-N
MW590.64 g/mol
LogP10.37
Rot. Bonds3

About 5-[3,5-di(dibenzofuran-4-yl)phenyl]pyrazino[2,3-f]quinoxaline

5-[3,5-di(dibenzofuran-4-yl)phenyl]pyrazino[2,3-f]quinoxaline (PubChem CID 123492661) has the molecular formula C40H22N4O2 and a molecular weight of 590.64 g/mol. Its IUPAC name is 5-[3,5-di(dibenzofuran-4-yl)phenyl]pyrazino[2,3-f]quinoxaline.

Molecular Properties

Compound Name5-[3,5-di(dibenzofuran-4-yl)phenyl]pyrazino[2,3-f]quinoxaline
PubChem CID123492661
Molecular FormulaC40H22N4O2
Molecular Weight590.64 g/mol
Exact Mass590.17
IUPAC Name5-[3,5-di(dibenzofuran-4-yl)phenyl]pyrazino[2,3-f]quinoxaline
SMILESc1ccc2c(c1)oc1c(-c3cc(-c4cc5nccnc5c5nccnc45)cc(-c4cccc5c4oc4ccccc45)c3)cccc12
InChIInChI=1S/C40H22N4O2/c1-3-13-34-28(7-1)30-11-5-9-26(39(30)45-34)23-19-24(27-10-6-12-31-29-8-2-4-14-35(29)46-40(27)31)21-25(20-23)32-22-33-37(43-16-15-41-33)38-36(32)42-17-18-44-38/h1-22H
InChIKeyBTMNLSQLLWDEPG-UHFFFAOYSA-N
XLogP10.37
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.64
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-[3,5-di(dibenzofuran-4-yl)phenyl]pyrazino[2,3-f]quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-di(dibenzofuran-4-yl)phenyl]pyrazino[2,3-f]quinoxaline?
The IUPAC name of 5-[3,5-di(dibenzofuran-4-yl)phenyl]pyrazino[2,3-f]quinoxaline (CID 123492661) is 5-[3,5-di(dibenzofuran-4-yl)phenyl]pyrazino[2,3-f]quinoxaline.
What is the SMILES notation for 5-[3,5-di(dibenzofuran-4-yl)phenyl]pyrazino[2,3-f]quinoxaline?
The canonical SMILES for 5-[3,5-di(dibenzofuran-4-yl)phenyl]pyrazino[2,3-f]quinoxaline is c1ccc2c(c1)oc1c(-c3cc(-c4cc5nccnc5c5nccnc45)cc(-c4cccc5c4oc4ccccc45)c3)cccc12.
What is the InChIKey of 5-[3,5-di(dibenzofuran-4-yl)phenyl]pyrazino[2,3-f]quinoxaline?
The InChIKey is BTMNLSQLLWDEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N4O2/c1-3-13-34-28(7-1)30-11-5-9-26(39(30)45-34)23-19-24(27-10-6-12-31-29-8-2-4-14-35(29)46-40(27)31)21-25(20-23)32-22-33-37(43-16-15-41-33)38-36(32)42-17-18-44-38/h1-22H.
What are the key properties of 5-[3,5-di(dibenzofuran-4-yl)phenyl]pyrazino[2,3-f]quinoxaline?
5-[3,5-di(dibenzofuran-4-yl)phenyl]pyrazino[2,3-f]quinoxaline has a molecular weight of 590.64 g/mol, XLogP of 10.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-di(dibenzofuran-4-yl)phenyl]pyrazino[2,3-f]quinoxaline is sourced from PubChem (CID 123492661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).