Basic information
- CAS
86853-92-1- Standard SMILES
O=c1c2cccc3cc4ccc5cccc6cc1c(c32)c4c56- InChIKey
HIHHXINILQCLMA-UHFFFAOYSA-N- Molecular formula
- C21H10O
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.07316494
Names & identifiers
- Preferred name
- 4H-Benzo(def)cyclopenta(mno)chrysen-4-one
- IUPAC
- hexacyclo[10.7.1.14,19.02,10.03,8.016,20]henicosa-1(19),2,4(21),5,7,10,12,14,16(20),17-decaen-9-one
Names & synonyms
4H-BENZO(DEF)CYCLOPENTA(MNO)CHRYSEN-4-ONE86853-92-1DTXSID702358674H-Indeno[2,1,7,6,5-nopqr]tetraphen-4-one
Database identifiers
- CAS
86853-92-1- PubChem CID
- 55574
- DTXSID
DTXSID70235867- Nikkaji
- J503.678J
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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