Tetrabenzo(a,e,klm,s)picene
Basic information
- CAS
72382-90-2- Standard SMILES
c1ccc2c(c1)ccc1cc3ccc4cc5ccc6ccccc6c5c5c6ccccc6c(c12)c3c45- InChIKey
GJUKITWGXUBGCV-UHFFFAOYSA-N- Molecular formula
- C36H20
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.15650064
Names & identifiers
- Preferred name
- Tetrabenzo(a,e,klm,s)picene
- IUPAC
- nonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.028,33]hexatriaconta-1(34),2,4,6,8,10,12,14,16,18,20(36),21,23(35),24,26,28,30,32-octadecaene
Names & synonyms
Tetrabenzo(a,e,klm,s)piceneTetrabenzo[a,e,klm,s]picene72382-90-2Dibenzo[a,o]naphtho[1,2,3,4-rst]pentapheneDTXSID80222687
Database identifiers
- CAS
72382-90-2- PubChem CID
- 51570
- DTXSID
DTXSID80222687- Nikkaji
- J1.590.305H
Properties
Computed structural properties
- XLogP
- 10.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 760
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Related reactions
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Compound notes
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