Basic information
- CAS
190-23-8- Standard SMILES
c1ccc2c(c1)c1ccccc1c1c2c2c3ccccc3c3ccccc3c2c2c3ccccc3c3ccccc3c12- InChIKey
YJPAVAGSCBGPCP-UHFFFAOYSA-N- Molecular formula
- C42H24
- Average molar mass
- 528.6 g/mol
- Monoisotopic mass
- 528.18780077
Names & identifiers
- Preferred name
- Dibenzo[f,j]phenanthro[9,10-s]picene
- IUPAC
- decacyclo[28.12.0.02,15.03,8.09,14.016,29.017,22.023,28.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosaene
Names & synonyms
Dibenzo[f,j]phenanthro[9,10-s]picene190-23-8Dibenzo(f,j)phenanthro(9,10-s)picenehexabenzotriphenyleneSCHEMBL712459DTXSID70172445
Database identifiers
- CAS
190-23-8- PubChem CID
- 136000
- DTXSID
DTXSID70172445- Nikkaji
- J1.378.984C
Properties
Computed structural properties
- XLogP
- 10.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 779
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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