Abstract: Starting form readily available materials(benzoyl chloride and benzoyl hydrazine) via one-pot way,three 2,5- bisphenyl -1,3,4-thiadiazole derivatives were synthesized.When the benzoyl hydrazines have the substituents as R=-NO2,-OCH3,-CN respectively ,expected 2,5- diphenyl -1,3,4- thiadiazole products with good yields can be obtained,when the benzoyl hydrazine has the substituent as R=I ,no expected product can be separated.UV and fluorescence spectra indicated that these materials could be used as potential blue emiting and organic semiconductor materials.Theoretical calculations based on density functional theory(DFT) with the Gaussian 03W program package at B3LYP/(6-31G,d) level indicated that these compounds have coconjugated configurations and ICT effects induced by terminal electro withdrawing groups.