2,3-bis[(4-fluorophenyl)sulfanylmethyl]benzo[g]quinoxaline

C26H18F2N2S2 — CID 10183054

IUPAC2,3-bis[(4-fluorophenyl)sulfanylmethyl]benzo[g]quinoxaline
SMILESFc1ccc(SCc2nc3cc4ccccc4cc3nc2CSc2ccc(F)cc2)cc1
InChIInChI=1S/C26H18F2N2S2/c27-19-5-9-21(10-6-19)31-15-25-26(16-32-22-11-7-20(28)8-12-22)30-24-14-18-4-2-1-3-17(18)13-23(24)29-25/h1-14H,15-16H2
InChIKeyVTVLLZRIESCVOO-UHFFFAOYSA-N
MW460.57 g/mol
LogP7.65
Rot. Bonds6

About 2,3-bis[(4-fluorophenyl)sulfanylmethyl]benzo[g]quinoxaline

2,3-bis[(4-fluorophenyl)sulfanylmethyl]benzo[g]quinoxaline (PubChem CID 10183054) has the molecular formula C26H18F2N2S2 and a molecular weight of 460.57 g/mol. Its IUPAC name is 2,3-bis[(4-fluorophenyl)sulfanylmethyl]benzo[g]quinoxaline.

Molecular Properties

Compound Name2,3-bis[(4-fluorophenyl)sulfanylmethyl]benzo[g]quinoxaline
PubChem CID10183054
Molecular FormulaC26H18F2N2S2
Molecular Weight460.57 g/mol
Exact Mass460.09
IUPAC Name2,3-bis[(4-fluorophenyl)sulfanylmethyl]benzo[g]quinoxaline
SMILESFc1ccc(SCc2nc3cc4ccccc4cc3nc2CSc2ccc(F)cc2)cc1
InChIInChI=1S/C26H18F2N2S2/c27-19-5-9-21(10-6-19)31-15-25-26(16-32-22-11-7-20(28)8-12-22)30-24-14-18-4-2-1-3-17(18)13-23(24)29-25/h1-14H,15-16H2
InChIKeyVTVLLZRIESCVOO-UHFFFAOYSA-N
XLogP7.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,3-bis[(4-fluorophenyl)sulfanylmethyl]benzo[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 2,3-bis[(4-fluorophenyl)sulfanylmethyl]benzo[g]quinoxaline?
The IUPAC name of 2,3-bis[(4-fluorophenyl)sulfanylmethyl]benzo[g]quinoxaline (CID 10183054) is 2,3-bis[(4-fluorophenyl)sulfanylmethyl]benzo[g]quinoxaline.
What is the SMILES notation for 2,3-bis[(4-fluorophenyl)sulfanylmethyl]benzo[g]quinoxaline?
The canonical SMILES for 2,3-bis[(4-fluorophenyl)sulfanylmethyl]benzo[g]quinoxaline is Fc1ccc(SCc2nc3cc4ccccc4cc3nc2CSc2ccc(F)cc2)cc1.
What is the InChIKey of 2,3-bis[(4-fluorophenyl)sulfanylmethyl]benzo[g]quinoxaline?
The InChIKey is VTVLLZRIESCVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F2N2S2/c27-19-5-9-21(10-6-19)31-15-25-26(16-32-22-11-7-20(28)8-12-22)30-24-14-18-4-2-1-3-17(18)13-23(24)29-25/h1-14H,15-16H2.
What are the key properties of 2,3-bis[(4-fluorophenyl)sulfanylmethyl]benzo[g]quinoxaline?
2,3-bis[(4-fluorophenyl)sulfanylmethyl]benzo[g]quinoxaline has a molecular weight of 460.57 g/mol, XLogP of 7.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(4-fluorophenyl)sulfanylmethyl]benzo[g]quinoxaline is sourced from PubChem (CID 10183054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).