Basic information
- CAS
31541-03-4- Standard SMILES
c1ccc2cc3c(cc2c1)c1cc2ccccc2c2ccc4c5ccccc5cc3c4c21- InChIKey
ZEHCLJBWNWNVNG-UHFFFAOYSA-N- Molecular formula
- C32H18
- Average molar mass
- 402.5 g/mol
- Monoisotopic mass
- 402.14085057
Names & identifiers
- Preferred name
- Benzo(fgh)trinaphthylene
- IUPAC
- octacyclo[18.10.2.02,11.04,9.012,32.014,19.023,31.024,29]dotriaconta-1(30),2,4,6,8,10,12,14,16,18,20(32),21,23(31),24,26,28-hexadecaene
Names & synonyms
Benzo[fgh]trinaphthyleneBENZO(FGH)TRINAPHTHYLENE31541-03-4Benzo[fgn]trinaphthyleneDTXSID40185441
Database identifiers
- CAS
31541-03-4- PubChem CID
- 35838
- DTXSID
DTXSID40185441- Nikkaji
- J1.615.973E
Properties
Computed structural properties
- XLogP
- 9.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 649
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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