Benzoperylene
Basic information
- CAS
11057-45-7- Standard SMILES
c1ccc2c(c1)cc1cccc3c4cccc5cccc(c54)c2c13- InChIKey
JDPBLCQVGZLACA-UHFFFAOYSA-N- Molecular formula
- C24H14
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.10955045
Overview
see also record for 1,12-benzperylene
Names & identifiers
- Preferred name
- Benzoperylene
- IUPAC
- hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene
- English name
- benzoperylene
- Molecular weight
- 0
Names & synonyms
Benzoperylene11057-45-7DTXSID901055485RefChem:916947Benzo(a)peryleneBenzo[a]perylene191-85-51,2-BenzoperyleneCCRIS 8718benzo [a] peryleneSCHEMBL466256SCHEMBL3017005
Show more names
SCHEMBL29539269SCHEMBL30622251DTXSID70172622hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaeneNS00122472
Database identifiers
- CAS
11057-45-7、191-85-5- PubChem CID
- 115240
- DTXSID
DTXSID70172622- Nikkaji
- J463.290G
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 480
Physicochemical properties
- EPA Substance Registry System
- Benzoperylene (11057-45-7)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Toxicological Information
Ranking: 448 (total points: 465.3)
Ranking: 448 (total points: 465.3)
Related reactions
3 records
Compound notes
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