Basic information
- CAS
111189-33-4- Standard SMILES
c1ccc2c(c1)-c1cccc3c1c-2c1ccc2cccc4ccc3c1c24- InChIKey
UEKNZIHLUVKZBV-UHFFFAOYSA-N- Molecular formula
- C26H14
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.10955045
Names & identifiers
- Preferred name
- Benz(def)indeno(1,2,3-hi)chrysene
- IUPAC
- heptacyclo[15.6.2.12,9.03,8.014,24.021,25.013,26]hexacosa-1(24),2(26),3,5,7,9,11,13,15,17(25),18,20,22-tridecaene
Names & synonyms
Benz(def)indeno(1,2,3-hi)chrysene111189-33-4DTXSID60149520RefChem:321080DTXCID0072011SCHEMBL4855248benz[def]indeno[1,2,3hi]chryseneBenzo[pqr]indeno[1,2,3-ij]tetraphene
Database identifiers
- CAS
111189-33-4- PubChem CID
- 183178
- DTXSID
DTXSID60149520
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 564
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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