The essential requirement for supramolecular assembly is the inclusion of guest molecules in the cavity of the macrocycle through noncovalent interactions. α-, β-and γ-CD gave a cone conformation with a diameter of 5, 6, 8 A, respectively. The cavities were sufficiently capacious to accommodate a multitude of guest molecules. To fabricate the phototheranostic supramolecular complexes, two amphiphilic AIEgen, TPE-Py and TPE-Qu, were chosen as the guest molecules. The pyridinium and quinolinium moiety of the two AIEgens was measured to be 1.96 and 3.92 A, respectively. From the size of guest molecules of view, thus, α-CD was selected as the host. This relatively small cavity allowed α-CD to establish hostguest complexes with TPE-Py and TPE-Qu. The two AIEgens were facilely synthesized by Suzuki and Aldol condensation reaction with medium yield. Their synthetic procedures were presented in Scheme S1 and the molecular purities were characterized by 1 H and C NMR, high-resolution mass spectrometry (HRMS) in Figures .