Multi-modal fusion molecular imaging technology integrates the advantages of a variety of molecular imaging techniques, and has become a hotspot and trend in the field of molecular imaging. Heptamethine cyanine dye is a class of novel near-infrared fluorescence (NIRF) dye with tumor targeting properties. With its unique optical properties, the dye has broad application prospects in tumor molecular imaging, targeted therapy and drug delivery system. Nanomaterials containing heptamethine cyanine dye can be used for NIRF/ MRI dual-modal imaging. NIRF/ PET dual-modal imaging can be achieved after labeling with nuclides. Conjugated with chemotherapy drugs, targeted delivery of anti-tumor drugs can also be achieved. Complexes of multiple heptamethine cyanine dyes have been used for multi-modal imaging as a new strategy for photothermal therapy, photodynamic therapy and combined treatment of tumors.