RefChem:95829
2-[2-(1,2-diphenylindol-3-yl)ethenyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium;4-methylbenzenesulfonate
Also Known As: EINECS 263-868-1|2-(2-(1,2-Diphenyl-1H-indol-3-yl)vinyl)-1,3,3-trimethyl-3H-pyrrolo(2,3-b)pyridinium toluene-p-sulphonate|2-[2-(1,2-diphenyl-1H-indol-3-yl)vinyl]-1,3,3-trimethyl-3H-pyrrolo[2,3-b]pyridinium toluene-p-sulphonate|3H-Pyrrolo(2,3-b)pyridinium, 2-(2-(1,2-diphenyl-1H-indol-3-yl)ethenyl)-1,3,3-trimethyl-, 4-methylbenzenesulfonate (1:1)|3H-Pyrrolo(2,3-b)pyridinium, 2-(2-(1,2-diphenyl-1H-indol-3-yl)ethenyl)-1,3,3-trimethyl-, salt with 4-methylbenzenesulfonic acid (1:1)|2-[(e)-2-(1,2-diphenyl-1h-indol-3-yl)vinyl]-1,3,3-trimethyl-3h-pyrrolo[2,3-b]pyridin-1-ium 4-methylbenzenesulfonate|2-[2-(1,2-Diphenyl-1H-indol-3-yl)ethen-1-yl]-1,3,3-trimethyl-3H-pyrrolo[2,3-b]pyridin-1-ium 4-methylbenzene-1-sulfonate|2-[2-(1,2-Diphenyl-1H-indol-3-yl)vinyl]-1,3,3-trimethyl-3H-pyrrolo[2,3-b]pyridinium toluene-p-sulfonate|263-868-1|3H-Pyrrolo[2,3-b]pyridinium, 2-[2-(1,2-diphenyl-1H-indol-3-yl)ethenyl]-1,3,3-trimethyl-, 4-methylbenzenesulfonate (1:1)|3H-Pyrrolo[2,3-b]pyridinium, 2-[2-(1,2-diphenyl-1H-indol-3-yl)ethenyl]-1,3,3-trimethyl-, salt with 4-methylbenzenesulfonic acid (1:1)
| Molecular Formula | C39H35N3O3S |
|---|---|
| Molecular Weight | 625.2399 g/mol |
| LogP | 8.31 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 625.2399 |
| Heavy Atoms | 46 |
| Complexity | 2198.6 |
Chemical Identifiers
| CAS Number | 63123-18-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C2=C(N=CC=C2)[N+](=C1C=CC3=C(N(C4=CC=CC=C43)C5=CC=CC=C5)C6=CC=CC=C6)C)C |
Product Overview
RefChem:95829 (CAS 63123-18-2), with molecular formula C39H35N3O3S and molecular weight 625.2399 g/mol. IUPAC: 2-[2-(1,2-diphenylindol-3-yl)ethenyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium;4-methylbenzenesulfonate.
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