A novel 3D MOF [Cd 2 (IPA) 2 L 0.5 (CH 3 OH)] (CUST-535) (H 2 IPA = isophthalic acid; L = 9,10-bis(N-benzimidazolyl)-anthracene) with rectangular 2D layer has been rationally synthesized under solvothermal conditions using ligand L with fluorescence properties. CUST-535 displays a fascinating 6-connected 3D network based on the point symbol {3 6 • 4 18 }. The excellent structural stability of CUST-535 was also verified by PXRD and TGA. Remarkably, thanks to the presence of the anthracene-based chromophore, CUST-535 exhibits strong blue light emission and shows sensitive and rapid fluorescence "turn-off" detecting of trace amounts of 2,4,6-trinitrophenol (TNP) and nitrofurantoin (NFT) in DMF. The limit of detection (LOD) for TNP and NFT are 0.374 μM and 0.675 μM, respectively. In the end, the mechanisms of fluorescence quenching have also been systematically studied through theoretical calculations and experiments.