Basic information
- CAS
7310-87-4- Standard SMILES
CCN1C(=CC(C)=Cc2[se]c3ccccc3[n+]2CC)[Se]c2ccccc21.[I-]- InChIKey
PEZDYXDCLKSWAD-UHFFFAOYSA-M- Molecular formula
- C22H23IN2Se2
- Average molar mass
- 600.3 g/mol
- Monoisotopic mass
- 601.92364
Overview
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Names & identifiers
- Preferred name
- 3,3'-Diethyl-9-methyl-selenocarbocyanine iodide
- IUPAC
- 3-ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzoselenazole iodide
Names & synonyms
3,3'-DIETHYL-9-METHYL-SELENOCARBOCYANINE IODIDEDTXSID90993856PEZDYXDCLKSWAD-UHFFFAOYSA-M3-Ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-2(3H)-ylidene)-2-methylprop-1-en-1-yl]-1,3-benzoselenazol-3-ium iodide
Database identifiers
- CAS
7310-87-4- PubChem CID
- 197871
- DTXSID
DTXSID90993856
Properties
Computed structural properties
- Topological polar surface area
- 7.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 511
Related reactions
0 records
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Compound notes
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