Near-infrared fluorescent dyes based on small organic molecules are believed to have a great influence on cancer diagnosis at large and targeted cancer cell bioimaging, in particular. NIR dyes-based organic molecules have notable characteristics features, such as high tissue penetration and low tissue autofluorescence in the NIR spectral region. Cancer targeted bioimaging relies significantly on the synthesis of highly specific molecular probes with excellent stability. Recently, NIR dyes have emerged as unique fluorescent probes for cancer bioimaging. These current advancements have overcome many limitations of conventional NIR probes e.g., poor photostability and hydrophilicity, insufficient stability and low quantum yield. The further potential lies in NIR dyes or NIR dyes-coated nanocarriers conjugated with cancer-specific ligand (e.g., peptides, antibodies, proteins or other small molecules). Multifunctional NIR dyes have synthesized, which efficiently accumulate in cancer cells without requiring chemical conjugation and also these dyes have presented novel photophysical and pharmaceutical properties for in vivo imaging. This review highlights the recently developed NIR dyes with novel applications in cancer bioimaging. We believe that these novel fluorophores will enhance our understanding of cancer imaging and pave a new road in cancer diagnosis and treatment.