Cyclopenta(hi)chrysene
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Basic information
- CAS
216-48-8- Standard SMILES
C1=Cc2cc3c4ccccc4ccc3c3cccc1c23- InChIKey
HSKOKJQCYMCTGU-UHFFFAOYSA-N- Molecular formula
- C20H12
- Average molar mass
- 252.3 g/mol
- Monoisotopic mass
- 252.09390038
Names & identifiers
- Preferred name
- Cyclopenta(hi)chrysene
- IUPAC
- pentacyclo[11.6.1.02,11.05,10.016,20]icosa-1(19),2(11),3,5,7,9,12,14,16(20),17-decaene
- English name
- BENZ(J)ACEPHENANTHRYLENE
- Molecular formula
- C20H12
- Molecular weight
- 252.31
Names & synonyms
cyclopenta[hi]chryseneCyclopenta(hi)chrysene216-48-8CCRIS 2990BRN 4990805DTXSID20944199RefChem:335860DTXCID501372552Benz[j]acephenanthryleneBenz(j)acephenanthryleneFKB76YC4PQSCHEMBL4851870
Database identifiers
- CAS
216-48-8- PubChem CID
- 159608
- DTXSID
DTXSID20944199- UNII
- FKB76YC4PQ
- Nikkaji
- J488.736K
Properties
Computed structural propertiesFilling in
- XLogP
- 6.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 408
Physicochemical properties
- Melting point
- 170 · 170-171 °C(Solv: hexane (110-54-3))
- Boiling point
- 498.5 · 498.5±12.0 °C(Predicted)
- Density
- 1.284 · 1.284±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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