The application provides a long
acene derivative molecule containing a seven-membered ring and a preparation method thereof. The structure is shown in formula I, formula II or formula III. The application takes a
cycloaddition reaction, a double
coupling reaction and other reactions as key steps, and long
acene derivative molecules containing a seven-membered ring shown in formula I, formula II and formula III are simply and efficiently synthesized. The method has the advantages of high efficiency and simplicity, short
synthesis period,
macro preparation of raw materials, synthesis of novel non-
benzene polycyclic aromatic hydrocarbons containing a seven-membered ring which cannot be obtained by traditional methods and the like. The novel non-
benzene polycyclic aromatic hydrocarbons containing a seven-membered ring synthesized by the application have unique optical physical and electrochemical properties and good photoelectric functions.