6,14-Diiodoniatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene
Basic information
- CAS
18399-12-7- Standard SMILES
c1cc2c3c(c1)[I+]c1cccc(c1-3)[I+]2- InChIKey
HXUXVJXXMYQFAD-UHFFFAOYSA-N- Molecular formula
- C12H6I2+2
- Average molar mass
- 403.98 g/mol
- Monoisotopic mass
- 403.8559
Names & identifiers
- Preferred name
- 6,14-Diiodoniatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene
- IUPAC
- 6,14-diiodoniatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene
Names & synonyms
NSC 10131718399-12-7NSC101317HXUXVJXXMYQFAD-UHFFFAOYSA-DTXSID00171522[1]Benziodolo[4,3,2-bcd][1]benziodole-4,8-diiumInChI=1/C12H6I2/c1-3-7-11-8(4-1)14-10-6-2-5-9(13-7)12(10)11/h1-6H/q+2
Database identifiers
- CAS
18399-12-7- PubChem CID
- 494076
- DTXSID
DTXSID00171522
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 2
- Complexity
- 207
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Related reactions
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Compound notes
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