Adsorption technology has been widely developed and employed for water and air pollution control. Conjugated microporous polymers (CMPs) emerge as the appropriate adsorbents candidate. To fulfill high capacity and good selectivity for the adsorption, strategies of flexible micropores design and functional group modification that facilitate the physical and chemical effect are considered desirable. The review firstly summarizes the advancements in structural studies of CMPs and the applications for contaminants adsorption from water and air. Further, the mechanisms involved in the remarkable capacity and selectivity of CMPs adsorbents are addressed. Finally, upcoming research efforts on materials design, adsorption principle, and resource recovery to overcome current practical bottlenecks are proposed.