Basic information
- CAS
73691-53-9- Standard SMILES
O[C@@H]1C=Cc2c(cc3ccc4cc5ccccc5c5ccc2c3c45)[C@H]1O- InChIKey
XTGREQRFWFSREC-ZJSXRUAMSA-N- Molecular formula
- C24H16O2
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.11502975
Names & identifiers
- Preferred name
- BENZO(rst)PENTAPHENE-3,4-DIOL, 3,4-DIHYDRO-, E-
- IUPAC
- (5R,6R)-hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,8,10,12,14,16,18,20(24),21-undecaene-5,6-diol
Names & synonyms
BENZO(rst)PENTAPHENE-3,4-DIOL, 3,4-DIHYDRO-, E-73691-53-9BRN 2008999trans-3,4-Dihydroxy-3,4-dihydrodibenzo(a,i)pyreneDTXSID90223983(3R,4R)-3,4-Dihydrobenzo[rst]pentaphene-3,4-diol
Database identifiers
- CAS
73691-53-9- PubChem CID
- 52219
- DTXSID
DTXSID90223983
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 585
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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