1,3-Bis(((E) Synthesis, Characterization DFT Study, and Acetylcholinesterase Inhibitory Activity

Abstract

The carbazole derivative, 1,3-bis(((E)-(9-ethyl-9H-carbazol-3-yl)methylene)amino)propan-2-ol (compound I), was synthesized and its molecular structure was verified by FTIR and NMR (C-13 and H-1) spectroscopy. The theoretical study of compound I was carried out by DFT/B3LYP/6-311++G(d,p) method. In calculations, the molecular structure, IR and NMR data, MEP map and FMOs (HOMO and LUMO) of compound I were obtained. IR and NMR data were compared with experimental ones. Results show that theoretical data confirm the molecular structure of compound I. The in vitro anti-acetylcholinesterase activity of title compound was performed by Ellman's spectrophotometric method with some modifications.