2,3-bis(6-phenyl-2-pyridinyl)-[1,4]benzodioxino[2,3-b]quinoxaline

C36H22N4O2 — CID 135215105

IUPAC2,3-bis(6-phenyl-2-pyridinyl)-[1,4]benzodioxino[2,3-b]quinoxaline
SMILESc1ccc(-c2cccc(-c3cc4c(cc3-c3cccc(-c5ccccc5)n3)Oc3nc5ccccc5nc3O4)n2)cc1
InChIInChI=1S/C36H22N4O2/c1-3-11-23(12-4-1)27-17-9-19-29(37-27)25-21-33-34(42-36-35(41-33)39-31-15-7-8-16-32(31)40-36)22-26(25)30-20-10-18-28(38-30)24-13-5-2-6-14-24/h1-22H
InChIKeyVRRXKFRLDJCKGS-UHFFFAOYSA-N
MW542.60 g/mol
LogP8.99
Rot. Bonds4

About 2,3-bis(6-phenyl-2-pyridinyl)-[1,4]benzodioxino[2,3-b]quinoxaline

2,3-bis(6-phenyl-2-pyridinyl)-[1,4]benzodioxino[2,3-b]quinoxaline (PubChem CID 135215105) has the molecular formula C36H22N4O2 and a molecular weight of 542.60 g/mol. Its IUPAC name is 2,3-bis(6-phenyl-2-pyridinyl)-[1,4]benzodioxino[2,3-b]quinoxaline.

Molecular Properties

Compound Name2,3-bis(6-phenyl-2-pyridinyl)-[1,4]benzodioxino[2,3-b]quinoxaline
PubChem CID135215105
Molecular FormulaC36H22N4O2
Molecular Weight542.60 g/mol
Exact Mass542.17
IUPAC Name2,3-bis(6-phenyl-2-pyridinyl)-[1,4]benzodioxino[2,3-b]quinoxaline
SMILESc1ccc(-c2cccc(-c3cc4c(cc3-c3cccc(-c5ccccc5)n3)Oc3nc5ccccc5nc3O4)n2)cc1
InChIInChI=1S/C36H22N4O2/c1-3-11-23(12-4-1)27-17-9-19-29(37-27)25-21-33-34(42-36-35(41-33)39-31-15-7-8-16-32(31)40-36)22-26(25)30-20-10-18-28(38-30)24-13-5-2-6-14-24/h1-22H
InChIKeyVRRXKFRLDJCKGS-UHFFFAOYSA-N
XLogP8.99
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.60
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,3-bis(6-phenyl-2-pyridinyl)-[1,4]benzodioxino[2,3-b]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 2,3-bis(6-phenyl-2-pyridinyl)-[1,4]benzodioxino[2,3-b]quinoxaline?
The IUPAC name of 2,3-bis(6-phenyl-2-pyridinyl)-[1,4]benzodioxino[2,3-b]quinoxaline (CID 135215105) is 2,3-bis(6-phenyl-2-pyridinyl)-[1,4]benzodioxino[2,3-b]quinoxaline.
What is the SMILES notation for 2,3-bis(6-phenyl-2-pyridinyl)-[1,4]benzodioxino[2,3-b]quinoxaline?
The canonical SMILES for 2,3-bis(6-phenyl-2-pyridinyl)-[1,4]benzodioxino[2,3-b]quinoxaline is c1ccc(-c2cccc(-c3cc4c(cc3-c3cccc(-c5ccccc5)n3)Oc3nc5ccccc5nc3O4)n2)cc1.
What is the InChIKey of 2,3-bis(6-phenyl-2-pyridinyl)-[1,4]benzodioxino[2,3-b]quinoxaline?
The InChIKey is VRRXKFRLDJCKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4O2/c1-3-11-23(12-4-1)27-17-9-19-29(37-27)25-21-33-34(42-36-35(41-33)39-31-15-7-8-16-32(31)40-36)22-26(25)30-20-10-18-28(38-30)24-13-5-2-6-14-24/h1-22H.
What are the key properties of 2,3-bis(6-phenyl-2-pyridinyl)-[1,4]benzodioxino[2,3-b]quinoxaline?
2,3-bis(6-phenyl-2-pyridinyl)-[1,4]benzodioxino[2,3-b]quinoxaline has a molecular weight of 542.60 g/mol, XLogP of 8.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(6-phenyl-2-pyridinyl)-[1,4]benzodioxino[2,3-b]quinoxaline is sourced from PubChem (CID 135215105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).