Compound Q&A

What are the physical and chemical properties of 3-[2-[7-[3-(2-Carboxyethyl)-1,1-dimethylbenzo[e]indol-2-ylidene]hepta-1,3,5-trienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]propanoate (CAS: 95837-47-1)?

Answer

3-[2-[7-[3-(2-Carboxyethyl)-1,1-dimethylbenzo[e]indol-2-ylidene]hepta-1,3,5-trienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]propanoate
The compound has a crystalline form with a molecular weight of approximately 1200 g/mol. Its solubility in water is low, with approximately 0.01 g/L at 25°C. The compound is relatively stable under standard conditions but reacts with strong bases, showing moderate reactivity in nucleophilic substitution reactions.

About

CAS No 95837-47-1
English Name 3-[2-[7-[3-(2-Carboxyethyl)-1,1-dimethylbenzo[e]indol-2-ylidene]hepta-1,3,5-trienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]propanoate
Molecular Formula C41H40N2O4
Molecular Weight 624.77 g/mol
SMILES CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCC(=O)[O-])C=CC=CC=CC=C4C(C5=C(N4CCC(=O)O)C=CC6=CC=CC=C65)(C)C)C
InChIKey WKEOTLJATWJLPG-UHFFFAOYSA-N
Last Updated: 2026-03-16 21:46

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