IR775 compound
2-[2-[2-chloro-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole
Also Known As: IR775 compound|2-[2-[2-chloro-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole|2-(2-(2-CHLORO-3-[2-(1,3,3-TRIMETHYL-2,3-DIHYDRO-1H-2-INDOLYLIDEN)ETHYLIDENE]-1-CYCLOHEXENYL)-1-ETHENYL)-1,3,3-TRIMETHYL-3H-INDOLIUM|acetyloxymethyl 1-acetyloxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate|2-(2-(2-Chloro-3-(2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene)-1-cyclohexen-1-yl)ethenyl)-1,3,3-trimethyl-3H-indolium
| Molecular Formula | C32H36ClN2+ |
|---|---|
| Molecular Weight | 483.2567 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 6.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 483.2567 |
| Monoisotopic Mass | 483.2567 |
| Heavy Atoms | 35 |
| Complexity | 931.0 |
Chemical Identifiers
| CAS Number | 69415-17-4 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4C)(C)C)CCC3)Cl)C)C |
| InChIKey | GDIYMWAMJKRXRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
IR775 compound (CAS 69415-17-4), with molecular formula C32H36ClN2+ and molecular weight 483.2567 g/mol. IUPAC: 2-[2-[2-chloro-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole.
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