Efficient One-Pot Synthesis of Dibenzoxanthenes Using a Vinylimidazolium-Based Brønsted Acidic Ionic Liquid [VSBIM][Cl]: In Silico Evaluation of Drug-Likeness, ADMET Properties, PASS Analysis, Antiviral Activity Prediction, and Molecular Docking Studies.

Dibenzoxanthene derivatives have produced considerable interest due to their pharmacological, photophysical, and organic optoelectronic properties. Herein, a facile one-pot methodology was developed for the synthesis of 14-(aryl)-14H-dibenzo[a,j]xanthene derivatives employing 5 mol% of the Brønsted acidic ionic liquid 1-vinyl-3-(4-sulfobutyl) imidazolium chloride [VSBIM][Cl] as an efficient and recyclable catalyst under solvent-free conditions. This protocol enables the condensation of β-naphthol with varied aryl or heteroaryl aldehydes to afford dibenzoxanthenes under neat conditions at 110°C. Nineteen 14-(aryl)-14H-dibenzo[a,j]xanthene derivatives were prepared in good to high yields. The synthesized dibenzoxanthenes were characterized by 1H and 13C NMR along with FT-IR spectroscopy. Furthermore, photophysical properties, drug-likeness (SwissADME), ADMET, PASS antiviral prediction, and molecular docking against Human Cyclooxygenase-2 (PDB: 5IKQ) were performed as preliminary in silico studies.