2-[(1E,3E)-5-(3,3-Dimethyl-1-propyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl]-3,3-dimethyl-1-propyl-3H-indolium iodide
Basic information
- CAS
53213-98-2- Standard SMILES
CCCN1C(=CC=CC=CC2=[N+](CCC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.[I-]- InChIKey
WBVUIFCYMYKOMJ-UHFFFAOYSA-M- Molecular formula
- C31H39IN2
- Average molar mass
- 566.6 g/mol
- Monoisotopic mass
- 566.2158
Names & identifiers
- Preferred name
- 2-[(1E,3E)-5-(3,3-Dimethyl-1-propyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl]-3,3-dimethyl-1-propyl-3H-indolium iodide
- IUPAC
- 2-[5-(3,3-dimethyl-1-propylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethyl-1-propylindole iodide
- English name
- 2-[(1E,3E)-5-(3,3-Dimethyl-1-propyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl]-3,3-dimethyl-1-propyl-3H-indolium iodide
- Molecular formula
- C31H39IN2
- Molecular weight
- 566.57
Names & synonyms
53213-98-22-[(1E,3E)-5-(3,3-DIMETHYL-1-PROPYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-1,3-PENTADIENYL]-3,3-DIMETHYL-1-PROPYL-3H-INDOLIUM IODIDESCHEMBL1874921DTXSID30694754WBVUIFCYMYKOMJ-UHFFFAOYSA-M2-[(1e,3e)-5-(3,3-Dimethyl-1-propyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl]-3,3-dimethyl-1-propyl-3H-indoliumiodide2-[(1E,3E)-5-(3,3-dimethyl-1-propyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl]-3,3-dimethyl-1-2-[5-(3,3-Dimethyl-1-propyl-1,3-dihydro-2H-indol-2-ylidene)penta-1,3-dien-1-yl]-3,3-dimethyl-1-propyl-3H-indol-1-ium iodide2-[5-(3,3-dimethyl-1-propylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethyl-1-propylindole;iodide2-[5-(1,3-Dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)-1,3-pentadienyl]-3,3-dimethyl-1-propyl-3H-indolium iodide3H-INDOLIUM, 2-[5-(1,3-DIHYDRO-3,3-DIMETHYL-1-PROPYL-2H-INDOL-2-YLIDENE)-1,3-PENTADIENYL]-3,3-DIMETHYL-1-PROPYL-, IODIDE2-[5-(1,3-Dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3,3-dimethyl-1-propyl-3H-indolium iodide (1:1)
Properties
Computed structural properties
- Topological polar surface area
- 6.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 745
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