The invention discloses a cyclodextrin-carbon nanotube derivative, which is characterized in that the rude carbon nanotube is processed with milling, purification and acidification, then the carbon nanotube is reacted with a halogenation reagent; the carboxylic acid radical at the surface of carbon nanotube is transformed to acyl halide radical which has strong reactivity; then the carbon nanotube is reacted with a binary functional group organic compound; the active functional group is extended out of the surface of carbon nanotube and reacted with trichloro-triazine; the carbon nanotube containing the active chlorine triazine ring is obtained, and the active chlorine triazine ring is positioned on the surface of the carbon nanotube and can be reacted with hydroxyl; finally, the invention is prepared by the nucleophilic substitution reaction between the carbon nanotube and the cyclodextrin. In the invention, the mass ratio of cyclodextrin and carbon nanotube is about 0.1-0.8:1. The invention also discloses the preparation method of the cyclodextrin-carbon nanotube derivative. The cyclodextrin-carbon nanotube derivative has the advantages of friendly environment, good solubility in dimethyl sulfoxide, N-methylpyrrolidone, N,N'-dimethylformamide and N,N'-dimethylacetamide, easily satisfied preparation condition, abundant material source and low cost.