Basic information
- CAS
188-00-1- Standard SMILES
c1ccc2c(c1)c1cccc3c4cccc5c6cccc7c8ccccc8c8cc2c(c13)c(c45)c8c76- InChIKey
PIOIXLTVQRSBRZ-UHFFFAOYSA-N- Molecular formula
- C36H18
- Average molar mass
- 450.5 g/mol
- Monoisotopic mass
- 450.14085057
Names & identifiers
- Preferred name
- Dibenzo[fg,ij]phenanthro[9,10,1,2,3-pqrst]pentaphene
- IUPAC
- decacyclo[22.10.2.02,15.03,8.04,33.09,14.017,35.018,23.028,36.029,34]hexatriaconta-1,3(8),4,6,9,11,13,15,17(35),18,20,22,24(36),25,27,29,31,33-octadecaene
- English name
- 1.2,3.4,5.6,10.11-Tetrabenzanthanthrene
- Molecular formula
- C36H18
- Molecular weight
- 450.53
Names & synonyms
188-00-1Dibenzo[fg,ij]phenanthro[9,10,1,2,3-pqrst]pentapheneDibenzo(fg,ij)phenanthro(9,10,1,2,3-pqrst)pentaphenedecacyclo[22.10.2.02,15.03,8.04,33.09,14.017,35.018,23.028,36.029,34]hexatriaconta-1,3(8),4,6,9,11,13,15,17(35),18,20,22,24(36),25,27,29,31,33-octadecaene1.2,3.4,5.6,10.11-TETRABENZANTHANTHRENESCHEMBL4846327DTXSID60172131DB-220311Dibenzo[fg,ij]phenanthro[3,2,1,10,9-pqrst]pentaphenedibenzo[fg,ij]phenanthro[9,10,1,2,3-pqrst]-pentaphene
Database identifiers
- CAS
188-00-1- PubChem CID
- 135992
- DTXSID
DTXSID60172131- Nikkaji
- J1.240.353D
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 820
Physicochemical properties
- Density
- 1.467 · 1.467±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
CHIRON[email protected]
上海甄准生物科技有限公司15800340161 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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