BODIPY trimer with 1,3,5-triazine core: Facile synthesis and crystal structure

Trimerization reaction of 8-(4′-cyanophenyl)-1,3,5,7-tetramethyl-4,4-difluoro-4-bora-3a,4a-diaza-s-indacene (CN-BODIPY) led to the isolation of a new triazine-based BODIPY trimer 2,4,6-tris(8′-phenyl-1′,3′,5′,7′-tetramethyl-4′,4′-difluoro-4′-bora-3a′,4a′-diaza-s-indacene)-1,3,5-triazine (1). This BODIPY trimer 1 have been characterized by a series of spectroscopic methods including MALDI-TOF mass, 1 H NMR, electronic absorption, IR and fluorescence spectroscopy. In particular, the single crystals of 1 have be obtained by slow diffusion of methanol into the solution of this compound in CHCl 3 . The BODIPY trimer structure of 1 with a triazine core has been directly revealed on the basis of single crystal X-ray diffraction analysis with the intermolecular interactions investigated by Hirshfeld surface analysis. This work will be helpful for the design and synthesis of new multiple BODIPY derivatives with various application.