8H-Imidazo(2,1-f)purinium, 8,9-dimethyl-7-phenyl-, iodide
Basic information
- CAS
111983-59-6- Standard SMILES
Cn1c(-c2ccccc2)cn2c3cncnc3[n+](C)c12.[I-]- InChIKey
JZMZAGFFWJDMDO-UHFFFAOYSA-M- Molecular formula
- C15H14IN5
- Average molar mass
- 391.21 g/mol
- Monoisotopic mass
- 391.02939
Names & identifiers
- Preferred name
- 8H-Imidazo(2,1-f)purinium, 8,9-dimethyl-7-phenyl-, iodide
- IUPAC
- 5,6-dimethyl-7-phenylpurino[7,8-a]imidazol-5-ium iodide
Names & synonyms
8,9-Dimethyl-7-phenyl-8H-imidazo(2,1-f)purinium iodide8H-Imidazo(2,1-f)purinium, 8,9-dimethyl-7-phenyl-, iodide111983-59-6RefChem:312414DTXSID609206348,9-Dimethyl-7-phenyl-9H-imidazo[2,1-f]purin-8-ium iodide
Database identifiers
- CAS
111983-59-6- PubChem CID
- 3086786
- DTXSID
DTXSID60920634
Properties
Computed structural properties
- Topological polar surface area
- 39 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 356
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Compound notes
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