Nonlinear optical (NLO) materials are crucial for the development of contemporary technologies, including communications, signal processing, and data storage. Materials possessing optical limiting (OL) qualities have the ability to effectively absorb significant amounts of high-energy lasers, hence reducing the output energy plays an important role in safeguarding human eyes and optical systems against laser-induced harm. The demand for designing of new NLO materials has significantly increased in the field of optoelectronics and photonics in recent years. The captivating photo-physical properties exhibited by NLO materials under intense laser irradiation account for their extensive range of practical uses. Organic compounds are highly sought after for designing novel NLO materials, owing to their capability to achieve rapid response rates, increased photo-electric quantum efficiency, low dielectric constants. Organic molecules also possess greater design freedom in comparison to inorganic substances, rendering them more economically efficient, compared to their inorganic counterparts. In order for a molecule to demonstrate NLO characteristics, it must contain a significant initial hyperpolarizability and non-Centrosymmetric geometry. Organic chromophores that display strong absorption and emission in the nearinfrared (NIR) region are useful for several technological applications, including, solar cells, heat absorbers and NIR-emitting diodes. BODIPY molecules possess notable absorption properties and demonstrate highly efficient fluorescence emission in this range of NIR wavelength. The absorption and emission characteristics of these molecules can be readily altered by changing the substitution pattern of the BODIPY framework, leading to an increase in their fluorescence in the NIR spectrum. These dyes are well-known for their remarkable resistance to heat and light-induced chemical reactions, and their capacity to produce fluorescent sensors. PPAB (see Figure ) was shown to possess a wide absorption spectrum in the visible and near-infrared ranges, which can be attributed to its extensive conjugate structure. In biological assays and screening procedures, dyes that have NIR absorption and emission properties are favoured because they experience less interference from auto fluorescence and have a greater ability to penetrate deeper into the sample. Of late, intramolecular charge transfer (ICT)-based molecules with electron-donating and electron-accepting components, connected either alone or via π-linkers are popular for designing chromophores for NLO materials.. Incorporating suitable electronic donor (D) and acceptor (A) components on opposing sides of the π-linker, for example, molecules with D-A, D-π-A, D-A-D, and A-D-A architectures, can lead to a high second-order NLO response. Recently, Wang et al reported a series of molecules with donor-acceptor-donor (D-π-A-π-D) framework with the Pyrrolopyrrole aza-BODIPYs as the acceptor moiety with Triphenylamine (TPA) or Diphenylamine (DPA) as donors, with thienyl or phenylene linker. They studied the singlet emission properties of these molecules, which was observed at NIR region. In this study, we investigated the absorption and NLO response properties of aforesaid molecules with (D-π-A-π-D) structure, which led us to design molecules with D-π-A architecture for obtaining chromophores for higher NLO response.