# Synthesis, Cytotoxicity, and Photophysical Investigations of 2-Amino-4,6-diphenylnicotinonitriles: An Experimental and Theoretical Study

## TL;DR

This paper studies new compounds that show strong cancer-fighting potential and unique light-emitting properties, which could be useful for sensors and cancer treatments.

## Contribution

The study introduces novel 2-amino-4,6-diphenylnicotinonitriles with high cytotoxicity and solvent-dependent fluorescence properties.

## Key findings

- Compound 3 shows higher cytotoxicity than Doxorubicin against breast cancer cells.
- Fluorescence emission of APNs shifts with solvent, indicating environmental sensitivity.
- TD-DFT analysis reveals electronic properties like HOMO-LUMO gaps and dipole moments.

## Abstract

In this study, we present a comprehensive investigation of 2-amino-4,6-diphenylnicotinonitriles (APNs, 1–6), including their synthesis, cytotoxicity against breast cancer cell lines, and photophysical properties. Compound 3 demonstrates exceptional cytotoxicity, surpassing the potency of Doxorubicin. The fluorescence spectra of the synthesized 1–6 in different solvents reveal solvent-dependent shifts in the emission maximum values, highlighting the influence of the solvent environment on their fluorescence properties. A quantum chemical TD-DFT analysis provides insights into the electronic structure and fluorescence behavior of 1–6, elucidating HOMO-LUMO energy gaps, electronegativity values, and dipole moments, contributing to a deeper understanding of their electronic properties and potential reactivity. These findings provide valuable knowledge for the development of APNs (1–6) as fluorescent sensors and potential anticancer agents.