2-phenyl-3-thiophen-3-ylbenzo[g]quinoxaline

C22H14N2S — CID 4139873

IUPAC2-phenyl-3-thiophen-3-ylbenzo[g]quinoxaline
SMILESc1ccc(-c2nc3cc4ccccc4cc3nc2-c2ccsc2)cc1
InChIInChI=1S/C22H14N2S/c1-2-6-15(7-3-1)21-22(18-10-11-25-14-18)24-20-13-17-9-5-4-8-16(17)12-19(20)23-21/h1-14H
InChIKeyRHUXVGQDXZXLDL-UHFFFAOYSA-N
MW338.44 g/mol
LogP6.18
Rot. Bonds2

About 2-phenyl-3-thiophen-3-ylbenzo[g]quinoxaline

2-phenyl-3-thiophen-3-ylbenzo[g]quinoxaline (PubChem CID 4139873) has the molecular formula C22H14N2S and a molecular weight of 338.44 g/mol. Its IUPAC name is 2-phenyl-3-thiophen-3-ylbenzo[g]quinoxaline.

Molecular Properties

Compound Name2-phenyl-3-thiophen-3-ylbenzo[g]quinoxaline
PubChem CID4139873
Molecular FormulaC22H14N2S
Molecular Weight338.44 g/mol
Exact Mass338.09
IUPAC Name2-phenyl-3-thiophen-3-ylbenzo[g]quinoxaline
SMILESc1ccc(-c2nc3cc4ccccc4cc3nc2-c2ccsc2)cc1
InChIInChI=1S/C22H14N2S/c1-2-6-15(7-3-1)21-22(18-10-11-25-14-18)24-20-13-17-9-5-4-8-16(17)12-19(20)23-21/h1-14H
InChIKeyRHUXVGQDXZXLDL-UHFFFAOYSA-N
XLogP6.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.44
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-phenyl-3-thiophen-3-ylbenzo[g]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-phenyl-3-thiophen-3-ylbenzo[g]quinoxaline?
The IUPAC name of 2-phenyl-3-thiophen-3-ylbenzo[g]quinoxaline (CID 4139873) is 2-phenyl-3-thiophen-3-ylbenzo[g]quinoxaline.
What is the SMILES notation for 2-phenyl-3-thiophen-3-ylbenzo[g]quinoxaline?
The canonical SMILES for 2-phenyl-3-thiophen-3-ylbenzo[g]quinoxaline is c1ccc(-c2nc3cc4ccccc4cc3nc2-c2ccsc2)cc1.
What is the InChIKey of 2-phenyl-3-thiophen-3-ylbenzo[g]quinoxaline?
The InChIKey is RHUXVGQDXZXLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2S/c1-2-6-15(7-3-1)21-22(18-10-11-25-14-18)24-20-13-17-9-5-4-8-16(17)12-19(20)23-21/h1-14H.
What are the key properties of 2-phenyl-3-thiophen-3-ylbenzo[g]quinoxaline?
2-phenyl-3-thiophen-3-ylbenzo[g]quinoxaline has a molecular weight of 338.44 g/mol, XLogP of 6.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-thiophen-3-ylbenzo[g]quinoxaline is sourced from PubChem (CID 4139873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).