4H-Cyclopenta[def]phenanthren-4-one
Basic information
- CAS
5737-13-3- Standard SMILES
O=c1c2cccc3ccc4cccc1c4c32- InChIKey
IFCBMPOMNSORDG-UHFFFAOYSA-N- Molecular formula
- C15H8O
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.05751487
Names & identifiers
- Preferred name
- 4H-Cyclopenta[def]phenanthren-4-one
- IUPAC
- tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one
- English name
- 4H-Cyclopenta[def]phenanthren-4-one
- Molecular formula
- C15H8O
- Molecular weight
- 204.22
Names & synonyms
4H-Cyclopenta[def]phenanthren-4-one5737-13-34H-CYCLOPENTA(DEF)PHENANTHREN-4-ONECCRIS 5798D32SLO7BUVNSC 1325414,5-PHENANTHRYLENE KETONEUNII-D32SLO7BUVNSC-132541DTXSID502059674H-cyclopenta[def]phenanthrene-4-one4H-cyclopenta(def)phenanthrene-4-one
Show more names
CYCLOPENTA[DEF]PHENANTHRENONEcyclopenta[def]phenanthren-4-one4H-CYCLOPENTA(DEF)-PHENANTHRENE-4-ONE4H-Cyclopenta[def]phenanthren-4-one in toluene39452, 4H-Cyclopenta[def]phenanthren-4-o ne (purity)
RefChem:100690DTXCID80128458tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-oneNSC1325414H-Cyclopenta[def]phenanthren-4-one #DB-053043NS00014588Q63408820
Database identifiers
- CAS
5737-13-3- PubChem CID
- 21963
- DTXSID
DTXSID50205967- UNII
- D32SLO7BUV
- Nikkaji
- J503.671B
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Melting point
- 170 °C · 170 °C
- Boiling point
- 411.6 · 411.6±12.0 °C(Predicted)
- Density
- 1.381 · 1.381±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- FDA UNII
- 32 SLO7BUV · D32SLO7BUV
- EPA Substance Registry System
- 4 H-Cyclopenta[def]phenanthren-4-one · 4H-Cyclopenta[def]phenanthren-4-one (5737-13-3)
Chemistry & industry
Applications
Uses4H-Cyclopenta[def]phenanthren-4-one is a ketone-bridged derivative of phenanthrene with mutagenic and carcinogenic activity.
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Compound notes
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