A π-conjugated optical functional organic compound comprising an electron donor (D) and acceptor (A) was synthesized. The crystal structure was determined through single-crystal X-ray diffraction analysis. It crystallizes in monoclinic, space group P2₁ with a = 9.6610(5), b = 8.9093(4), c = 26.303(1) Å, β = 96.262(4)°, V = 2250.5(2) ų, Z = 4, D_c = 1.220 Mg/m³, F(000) = 872, Μ_r = 413.50, μ = 0.072 mm^-1, the final R = 0.0569 and wR = 0.1700 for 8976 observed reflections with I > 2s(I). Optical properties were studied in detail through theoretical calculation and experimental study. The result reveals that the compound exhibits excellent fluorescence performance and it can be compatible in the cytoplasm of NIH/3T3 cells, showing potential in fluorescence microscopy bioimaging.