Basic information
- CAS
191-79-7- Standard SMILES
c1cc2cccc3c2c(c1)c1cccc2c1c3c1cccc3c4cccc5cccc(c54)c2c31- InChIKey
UVTINTHSQNZHEZ-UHFFFAOYSA-N- Molecular formula
- C34H18
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.14085057
Names & identifiers
- Preferred name
- Tetrabenzo(de,hi,op,st)pentacene
- IUPAC
- nonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3,5,7(34),8,10,12(33),13,15,17(31),18,20,22(32),23,25,27,29-heptadecaene
Names & synonyms
Tetrabenzo(de,hi,op,st)pentaceneTetrabenzo[de,hi,op,st]pentacene191-79-7DTXSID10172621RefChem:188390DTXCID6095112SCHEMBL4501676tetrabenzo-[de,hi,op,st]pentacenetetrabenzo[de, hi, op, st]pentacene
Database identifiers
- CAS
191-79-7- PubChem CID
- 136016
- DTXSID
DTXSID10172621- Nikkaji
- J804.926B
Properties
Computed structural properties
- XLogP
- 9.6
- 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
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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