Synthesis, spectral analysis, DFT studies and Biological application of (E)-3-benzylidene-9-methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one

•3-benzylidene-9-methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one has been synthesised.•The structure of this molecule is characterized by FT-IR, NMR, and Mass spectra.•Electronic structure analysed by DFT method using FMO, MESP, and NCI analysis.•In silico molecular docking studies performed with 6F86 and 2UVO proteins. We have successfully synthesized our desired compound of (E)-3-benzylidene-9-methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one by reacting with 9-methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one and benzaldehyde. Further structure was characterized and confirmed by 1H NMR, 13C NMR, and Mass spectral analysis. Then we have explored the electronic structure of this one by DFT studies through MESP, and FMO analysis. Molecular docking studies were performed with 2 proteins with our compound and found to be good binding energies. [Display omitted]