Account 2-(2-(2-Chloro-3-(2-(3-ethyl-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3-ethyl-1,1-dimethyl-1H-benzo[e]indol-3-ium iodide
- Catalog No. :
- ACDQMU349
- CAS No. :
- 162411-29-2
- Molecular Formula :
- C42H44ClIN2
- Molecular Weight :
- 739.18
IUPAC Name:2-((E)-2-((E)-2-chloro-3-((E)-2-(3-ethyl-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3-ethyl-1,1-dimethyl-1H-benzo[e]indol-3-ium iodide
![2-(2-(2-Chloro-3-(2-(3-ethyl-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3-ethyl-1,1-dimethyl-1H-benzo[e]indol-3-ium iodide structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 2-(2-(2-Chloro-3-(2-(3-ethyl-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3-ethyl-1,1-dimethyl-1H-benzo[e]indol-3-ium iodide |
|---|---|
| IUPAC Name | 2-((E)-2-((E)-2-chloro-3-((E)-2-(3-ethyl-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3-ethyl-1,1-dimethyl-1H-benzo[e]indol-3-ium iodide |
| Molecular Formula | C42H44ClIN2 |
| Molecular Weight | 739.18 |
| SMILES | CC1(C)C(/C=C/C2=C(Cl)/C(CCC2)=C/C=C3N(CC)C4=C(C5=CC=CC=C5C=C4)C/3(C)C)=[N+](CC)C6=C1C7=CC=CC=C7C=C6.[I-] |
| InChI Key | CNQCCCLLXKARPK-UHFFFAOYSA-M |
| Synonym | Heptamethine cyanine dye-1;1H-Benz[e]indolium,2-[2-[2-chloro-3-[2-(3-ethyl- 1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2- ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]- 3-ethyl-1,1-dimethyl-, iodide, 97%;ADS 815EI;ADS 815EI, >96%;Heptamethine cyanine dye-1, >96%;1H benzo [e] indolinium;Heptamethine cyanine dye-1(Synonyms: ADS 815EI);2-((E)-2-((E)-2-chloro-3-((E)-2-(3-ethyl-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3-ethyl-1,1-dimethyl-1H-benzo[e]indol-3-ium iodide |
| CAS No. | 162411-29-2 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACDQMU349 Molecular Building Block Synthetic Route
3-Butyl-2-(2-(3-(2-(3-butyl-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-2-chlorocyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium tetrafluoroborate
3-Butyl-2-(2-[3-[2-(3-butyl-1,1-dimethyl-1,3-dihydrobenzo[e]indol-2-ylidene)ethylidene]-2-chloro-cyclohex-1-enyl]vinyl)-1,1-dimethyl-1H-benzo[e]indolium hexafluorophosphate
3-(3-aminopropyl)-2-(2-(3-(2-(3-(3-aminopropyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-2-chlorocyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide dihydrobromide