Basic information
- CAS
191-46-8- Standard SMILES
c1ccc2c(c1)cc1ccc3c4ccc5cccc6c7ccccc7c(c7ccc2c1c37)c4c56- InChIKey
KMIGNEYTFAGKRW-UHFFFAOYSA-N- Molecular formula
- C34H18
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.14085057
Names & identifiers
- Preferred name
- Dibenzo[a,rst]naphtho[8,1,2-cde]pentaphene
- IUPAC
- nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.024,32.025,30]tetratriaconta-1(31),2,4,6,8,10,12,14,16,18,20(32),21,23,25,27,29,33-heptadecaene
- English name
- Dibenzo[a,rst]naphtho[8,1,2-cde]pentaphene
- Molecular formula
- C34H18
- Molecular weight
- 426.51
Names & synonyms
Dibenzo[a,rst]naphtho[8,1,2-cde]pentaphene191-46-8Dibenzo(a,rst)naphtho(8,1,2-cde)pentapheneDTXSID80172618RefChem:586376DTXCID7095109Violanthrene Bnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.024,32.025,30]tetratriaconta-1(31),2,4,6,8,10,12,14,16,18,20(32),21,23,25,27,29,33-heptadecaeneSCHEMBL2464109KMIGNEYTFAGKRW-UHFFFAOYSA-N
Database identifiers
- CAS
191-46-8- PubChem CID
- 136015
- DTXSID
DTXSID80172618- Nikkaji
- J288.001F
Properties
Computed structural properties
- XLogP
- 9.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 798
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Melting point
- 330 · 330-331 °C(Solv: chlorobenzene (108-90-7))
- Density
- 1.408 · 1.408±0.06 g/cm3(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Dibenzo[a,rst]naphtho[8,1,2-cde]pentaphene
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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