2,3-diphenyl-5,8-dithiophen-2-ylquinoxaline

C28H18N2S2 — CID 58273761

IUPAC2,3-diphenyl-5,8-dithiophen-2-ylquinoxaline
SMILESc1ccc(-c2nc3c(-c4cccs4)ccc(-c4cccs4)c3nc2-c2ccccc2)cc1
InChIInChI=1S/C28H18N2S2/c1-3-9-19(10-4-1)25-26(20-11-5-2-6-12-20)30-28-22(24-14-8-18-32-24)16-15-21(27(28)29-25)23-13-7-17-31-23/h1-18H
InChIKeyWAEKWQWZKWSGHM-UHFFFAOYSA-N
MW446.60 g/mol
LogP8.42
Rot. Bonds4

About 2,3-diphenyl-5,8-dithiophen-2-ylquinoxaline

2,3-diphenyl-5,8-dithiophen-2-ylquinoxaline (PubChem CID 58273761) has the molecular formula C28H18N2S2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 2,3-diphenyl-5,8-dithiophen-2-ylquinoxaline.

Molecular Properties

Compound Name2,3-diphenyl-5,8-dithiophen-2-ylquinoxaline
PubChem CID58273761
Molecular FormulaC28H18N2S2
Molecular Weight446.60 g/mol
Exact Mass446.09
IUPAC Name2,3-diphenyl-5,8-dithiophen-2-ylquinoxaline
SMILESc1ccc(-c2nc3c(-c4cccs4)ccc(-c4cccs4)c3nc2-c2ccccc2)cc1
InChIInChI=1S/C28H18N2S2/c1-3-9-19(10-4-1)25-26(20-11-5-2-6-12-20)30-28-22(24-14-8-18-32-24)16-15-21(27(28)29-25)23-13-7-17-31-23/h1-18H
InChIKeyWAEKWQWZKWSGHM-UHFFFAOYSA-N
XLogP8.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3-diphenyl-5,8-dithiophen-2-ylquinoxaline 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-diphenyl-5,8-dithiophen-2-ylquinoxaline?
The IUPAC name of 2,3-diphenyl-5,8-dithiophen-2-ylquinoxaline (CID 58273761) is 2,3-diphenyl-5,8-dithiophen-2-ylquinoxaline.
What is the SMILES notation for 2,3-diphenyl-5,8-dithiophen-2-ylquinoxaline?
The canonical SMILES for 2,3-diphenyl-5,8-dithiophen-2-ylquinoxaline is c1ccc(-c2nc3c(-c4cccs4)ccc(-c4cccs4)c3nc2-c2ccccc2)cc1.
What is the InChIKey of 2,3-diphenyl-5,8-dithiophen-2-ylquinoxaline?
The InChIKey is WAEKWQWZKWSGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2S2/c1-3-9-19(10-4-1)25-26(20-11-5-2-6-12-20)30-28-22(24-14-8-18-32-24)16-15-21(27(28)29-25)23-13-7-17-31-23/h1-18H.
What are the key properties of 2,3-diphenyl-5,8-dithiophen-2-ylquinoxaline?
2,3-diphenyl-5,8-dithiophen-2-ylquinoxaline has a molecular weight of 446.60 g/mol, XLogP of 8.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-5,8-dithiophen-2-ylquinoxaline is sourced from PubChem (CID 58273761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).