Basic information
- CAS
60223-52-1- Standard SMILES
COc1ccc2c3ccc(OC)cc3c3c4cc(OC)ccc4c4ccc(OC)cc4c3c2c1- InChIKey
AXASTMHSWNALDT-UHFFFAOYSA-N- Molecular formula
- C30H24O4
- Average molar mass
- 448.5 g/mol
- Monoisotopic mass
- 448.16745924
Overview
structure
Names & identifiers
- Preferred name
- 3,6,11,14-Tetramethoxydibenzo(g,p)chrysene
- IUPAC
- 4,11,17,24-tetramethoxyhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15(20),16,18,21(26),22,24-tridecaene
- English name
- 3,6,11,14-TETRAMETHOXYDIBENZO[G,P]CHRYSENE
- Molecular formula
- C30H24O4
- Molecular weight
- 448.51
Names & synonyms
3,6,11,14-Tetramethoxydibenzo(g,p)chrysene60223-52-1DTXSID90208972RefChem:91646DTXCID40131463BRN 21851772,7,10,15-Tetramethoxydibenzo[g,p]chryseneDIBENZO(g,p)CHRYSENE, 3,6,11,14-TETRAMETHOXY-4,11,17,24-tetramethoxyhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15(20),16,18,21(26),22,24-tridecaene3,6,11,14-TETRAMETHOXY-DIBENZO(G,P)CHRYSENE3,6,11,14-TETRAMETHOXYDIBENZO[G,P]CHRYSENE
Database identifiers
- CAS
60223-52-1- PubChem CID
- 43237
- DTXSID
DTXSID90208972- Nikkaji
- J2.624.916C
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 583
Physicochemical properties
- Boiling point
- 517.23 °C · 517.23°C (rough estimate)
- Density
- 1.1057 · 1.1057 (rough estimate)
- refractive index
- 1.64 · 1.6400 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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