Basic information
- CAS
63123-18-2- Standard SMILES
C[N+]1=C(C=Cc2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)C(C)(C)c2cccnc21.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
RHYBTAZGAJJDLU-UHFFFAOYSA-M- Molecular formula
- C39H35N3O3S
- Average molar mass
- 625.8 g/mol
- Monoisotopic mass
- 625.23991316
Names & identifiers
- Preferred name
- 3H-Pyrrolo[2,3-b]pyridinium, 2-[2-(1,2-diphenyl-1H-indol-3-yl)ethenyl]-1,3,3-trimethyl-, 4-methylbenzenesulfonate (1:1)
- IUPAC
- 2-[2-(1,2-diphenylindol-3-yl)ethenyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium;4-methylbenzenesulfonate
Names & synonyms
EINECS 263-868-1DTXSID50696752-(2-(1,2-Diphenyl-1H-indol-3-yl)vinyl)-1,3,3-trimethyl-3H-pyrrolo(2,3-b)pyridinium toluene-p-sulphonate2-[2-(1,2-diphenyl-1H-indol-3-yl)vinyl]-1,3,3-trimethyl-3H-pyrrolo[2,3-b]pyridinium toluene-p-sulphonate3H-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)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)RefChem:95829DTXCID3043653263-868-163123-18-2
Show more names
RHYBTAZGAJJDLU-UHFFFAOYSA-MDB-2168522-[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
Properties
Computed structural properties
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 993
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3H-Pyrrolo[2,3-b]pyridinium, 2-[2-(1,2-diphenyl-1H-indol-3-yl)ethenyl]-1,3,3-trimethyl-, 4-methylbenzenesulfonate (1:1): ACTIVE
Related reactions
0 records
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Compound notes
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