Difluoreno[9',1',2':2,1,10;9'',1'',2'':7,8,9]pyreno[4,5-c]furan-6,8-dione
Basic information
- CAS
4393-81-1- Standard SMILES
O=c1oc(=O)c2c3cc4c5ccccc5c5ccc6c7ccc8c9ccccc9c9cc(c12)c(c7c89)c3c6c54- InChIKey
IRIMYECGMFCCNF-UHFFFAOYSA-N- Molecular formula
- C36H14O3
- Average molar mass
- 494.5 g/mol
- Monoisotopic mass
- 494.0942943
Names & identifiers
- Preferred name
- Difluoreno[9',1',2':2,1,10;9'',1'',2'':7,8,9]pyreno[4,5-c]furan-6,8-dione
- IUPAC
- 20-oxaundecacyclo[23.10.1.14,8.02,23.03,17.05,35.09,14.018,22.026,31.032,36.015,37]heptatriaconta-1,3,5(35),6,8(37),9,11,13,15,17,22,24,26,28,30,32(36),33-heptadecaene-19,21-dione
Names & synonyms
4393-81-1DTXSID20545069Difluoreno[9',1',2':2,1,10;9'',1'',2'':7,8,9]pyreno[4,5-c]furan-6,8-dione
Database identifiers
- CAS
4393-81-1- PubChem CID
- 13614939
- DTXSID
DTXSID20545069
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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