3,4-Epoxy-1,2,3,4-tetrahydrodibenzo(a,i)pyrene
Basic information
- CAS
78859-22-0- Standard SMILES
c1ccc2c(c1)cc1ccc3cc4c(c5ccc2c1c35)CCC1OC41- InChIKey
JVQKHLJMCPQCOF-UHFFFAOYSA-N- Molecular formula
- C24H16O
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.12011513
Names & identifiers
- Preferred name
- 3,4-Epoxy-1,2,3,4-tetrahydrodibenzo(a,i)pyrene
- IUPAC
- 6-oxaheptacyclo[11.10.2.02,8.05,7.010,24.015,20.021,25]pentacosa-1(24),2(8),9,11,13,15,17,19,21(25),22-decaene
Names & synonyms
78859-22-03,4-Epoxy-1,2,3,4-tetrahydrodibenzo(a,i)pyrene3,4-Epoxy-1,2,3,4-tetrahydrobenzo(rst)pentapheneBENZO(rst)PENTAPHENE, 1,2,3,4-TETRAHYDRO-3,4-EPOXY-DTXSID1010000861a,12,13,13a-Tetrahydrobenzo[13,14]pentapheno[3,4-b]oxirene
Database identifiers
- CAS
78859-22-0- PubChem CID
- 54291
- DTXSID
DTXSID101000086- Nikkaji
- J87.879K
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 556
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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