Theoretical investigation on chemical and biochemical activities of 5,6-dihydro-11H-benzo[α]carbazole and its derivatives

According to the calculated molecular electron density of BDHC and its derivatives, c- and d-positions on A ring and e- and f-positions on D ring are more effective on electron-withdrawing and -donating substituted structures, so different substituents 1(a-h)-10(a-h) do not also have any distinct effect on charge distributions of BDHC derivatives.