Basic information
- CAS
91327-55-8- Standard SMILES
O=C1c2c(-c3ccccc3)ccc(-c3ccccc3)c2C2(O)OC1(O)c1c(-c3ccccc3)ccc(-c3ccccc3)c1C2=O- InChIKey
ISGCQBSKYOFABP-UHFFFAOYSA-N- Molecular formula
- C40H26O5
- Average molar mass
- 586.6 g/mol
- Monoisotopic mass
- 586.17802393
Names & identifiers
- Preferred name
- 1,9-Dihydroxy-3,6,11,14-tetraphenyl-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-8,16-dione
- IUPAC
- 1,9-dihydroxy-3,6,11,14-tetraphenyl-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-8,16-dione
Names & synonyms
NSC36188991327-55-8SCHEMBL2681689DTXSID20320616NSC-3618895,11-Dihydroxy-1,4,7,10-tetraphenyl-5,11-epoxydibenzo[a,e][8]annulene-6,12(5H,11H)-dione
Database identifiers
- CAS
91327-55-8- PubChem CID
- 338658
- DTXSID
DTXSID20320616
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 996
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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