Account 2-(2-(2-Chloro-3-(2-(3-(3-isothiocyanatopropyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3-(3-isothiocyanatopropyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide
- Catalog No. :
- ACZOMX418
- CAS No. :
- 162411-31-6
- Molecular Formula :
- C46H46BrClN4S2
- Molecular Weight :
- 834.39
IUPAC Name:2-(2-(2-chloro-3-(2-(3-(3-isothiocyanatopropyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3-(3-isothiocyanatopropyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide
![2-(2-(2-Chloro-3-(2-(3-(3-isothiocyanatopropyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3-(3-isothiocyanatopropyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 2-(2-(2-Chloro-3-(2-(3-(3-isothiocyanatopropyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3-(3-isothiocyanatopropyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide |
|---|---|
| IUPAC Name | 2-(2-(2-chloro-3-(2-(3-(3-isothiocyanatopropyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3-(3-isothiocyanatopropyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide |
| Molecular Formula | C46H46BrClN4S2 |
| Molecular Weight | 834.39 |
| SMILES | CC1(C)C(C=CC2=C(Cl)C(CCC2)=CC=C3N(CCCN=C=S)C4=C(C5=CC=CC=C5C=C4)C3(C)C)=[N+](CCCN=C=S)C6=C1C7=CC=CC=C7C=C6.[Br-] |
| InChI Key | NTQGWDKAUSUQIS-UHFFFAOYSA-M |
| Synonym | NIR 5e;1,1′-Bis(3-isothiocyanatopropyl)-11-chloro-4,5:4′,5′-dibenzo-3,3,3′,3′-tetramethyl-10,12-trimethylenindotricarbocyanine bromide |
| CAS No. | 162411-31-6 |
Safety Data
- Signal Word
- Danger
- Hazard Statement(s)
- H315-H317-H319-H330-H334-H335-H351-H412
- Precautionary Statement(s)
- P201-P202-P260-P264-P271-P272-P273-P280-P284-P302+P352-P304+P340+P310-P305+P351+P338-P308+P313-P333+P313-P337+P313-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACZOMX418 Molecular Building Block Synthetic Route
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
2-(2-(2-chloro-3-(2-(1-(3-isothiocyanatopropyl)-3,3-dimethylindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1-(3-isothiocyanatopropyl)-3,3-dimethyl-3H-indol-1-ium bromide
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