Basic information
- CAS
313-63-3- Standard SMILES
c1ccc2c(c1)c1cccc3c4cccc5c6ccccc6c6c7ccccc7c2c(c13)c6c54- InChIKey
JZEKMRGHHRSJKK-UHFFFAOYSA-N- Molecular formula
- C34H18
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.14085057
Names & identifiers
- Preferred name
- Dibenzo(fg,ij)naphtho(1,2,3,4-rst)pentaphene
- IUPAC
- nonacyclo[20.12.0.02,15.03,8.04,33.09,14.016,21.023,28.029,34]tetratriaconta-1(22),2(15),3(8),4,6,9,11,13,16,18,20,23,25,27,29(34),30,32-heptadecaene
- English name
- Dibenzo[fg,ij]naphtho[1,2,3,4-rst]pentaphene
- Molecular formula
- C34H18
- Molecular weight
- 426.51
Names & synonyms
Dibenzo[fg,ij]naphtho[1,2,3,4-rst]pentaphene313-63-3Dibenzo(fg,ij)naphtho(1,2,3,4-rst)pentapheneDTXSID90185219RefChem:337229DTXCID50107710
Database identifiers
- CAS
313-63-3- PubChem CID
- 136155
- DTXSID
DTXSID90185219- Nikkaji
- J79.592E
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 732
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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