Account 3-(4-Carboxybenzyl)-2-(2-(3-(2-(3-(4-carboxybenzyl)-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
- Catalog No. :
- ACJENX567
- CAS No. :
- 1558079-49-4
- Molecular Formula :
- C54H48ClN2O4+
- Molecular Weight :
- 824.44
IUPAC Name:3-(4-carboxybenzyl)-2-(2-(3-(2-(3-(4-carboxybenzyl)-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
![3-(4-Carboxybenzyl)-2-(2-(3-(2-(3-(4-carboxybenzyl)-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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 3-(4-Carboxybenzyl)-2-(2-(3-(2-(3-(4-carboxybenzyl)-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 |
|---|---|
| IUPAC Name | 3-(4-carboxybenzyl)-2-(2-(3-(2-(3-(4-carboxybenzyl)-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 |
| Molecular Formula | C54H48ClN2O4+ |
| Molecular Weight | 824.44 |
| SMILES | CC1(C)C(=CC=C2CCCC(C=CC3=[N+](CC4=CC=C(C(=O)O)C=C4)C4=C(C5=CC=CC=C5C=C4)C3(C)C)=C2Cl)N(CC2=CC=C(C(=O)O)C=C2)C2=C1C1=CC=CC=C1C=C2 |
| InChI Key | SPEHNGMUCASLRM-UHFFFAOYSA-O |
| Synonym | IR-825;3-(4-Carboxybenzyl)-2-((E)-2-((E)-3-((E)-2-(3-(4-carboxybenzyl)-1,1-dimethyl-1H-benzo[e]indol-2(3H)-ylidene)ethylidene)-2-chlorocyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide;IR825, >97%;3-(4-Carboxybenzyl)-2-(2-(3-(2-(3-(4-carboxybenzyl)-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;IR 825,IR825;3- (4-carboxybenzyl) -2- (2- (3- (3- (4-carboxybenzyl) -1,1-dimethyl-1H-benzo [e] indole-2 (3H) - ylidene) -2-chlorocyclohex-1-en-1-yl) vinyl) -1,1-dimethyl-1H-benzo [e] indole-3-onium;3-[(4-Carboxyphenyl)methyl]-2-[2-[3-[2-[3-[(4-carboxyphenyl)methyl]-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene]ethylidene]-2-chloro-1-cyclohexen-1-yl]ethenyl]-1,1-dimethyl-1H-benz[e]indolium |
| CAS No. | 1558079-49-4 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H315-H319
- Precautionary Statement(s)
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364
Synthetic Route by SureRoute
2. ACJENX567 Molecular Building Block Synthetic Route
3-(4-Carboxybenzyl)-2-(2-(3-(2-(3-(4-carboxybenzyl)-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
3-Benzyl-2-(2-(3-(2-(3-benzyl-1,1-dimethyl-1H-benzo[e]indol-2(3H)-ylidene)ethylidene)-2-chlorocyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide
1-(4-Carboxybenzyl)-2-(2-(3-(2-(1-(4-carboxybenzyl)-3,3-dimethylindolin-2-ylidene)ethylidene)-2-chlorocyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-3H-indol-1-ium bromide