Basic information
- CAS
31541-07-8- Standard SMILES
c1ccc2cc3c(cc2c1)c1c2ccccc2cc2ccc4cc5ccccc5c3c4c21- InChIKey
NIEHJHVXMCDHGO-UHFFFAOYSA-N- Molecular formula
- C32H18
- Average molar mass
- 402.5 g/mol
- Monoisotopic mass
- 402.14085057
Names & identifiers
- Preferred name
- Anthra(1,2,3,4-rst)pentaphene
- IUPAC
- octacyclo[18.10.2.02,11.04,9.012,32.013,18.023,31.025,30]dotriaconta-1(31),2,4,6,8,10,12(32),13,15,17,19,21,23,25,27,29-hexadecaene
Names & synonyms
Anthra[1,2,3,4-rst]pentapheneANTHRA(1,2,3,4-RST)PENTAPHENE31541-07-8SCHEMBL4846308Benzo[klm]naphtho-2,3-a]piceneDTXSID00185442
Database identifiers
- CAS
31541-07-8- PubChem CID
- 35839
- DTXSID
DTXSID00185442- Nikkaji
- J1.615.974C
Properties
Computed structural properties
- XLogP
- 9.8
- 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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