Basic information
- CAS
475-63-8- Standard SMILES
O=c1c2ccccc2c2c3c1cccc3c1cccc3c(=O)c4ccccc4c2c31- InChIKey
CJADAVIATOALFB-UHFFFAOYSA-N- Molecular formula
- C28H14O2
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.09937969
Names & identifiers
- Preferred name
- Helioanthrone
- IUPAC
- heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-9,20-dione
- English name
- dibenzo[a,o]perylene-7,16-dione
- Molecular formula
- C28H14O2
- Molecular weight
- 382.41
Names & synonyms
HelianthroneDibenzo[a,o]perylene-7,16-dione475-63-8HelioanthroneDibenzo(a,o)perylene-7,16-dioneU52LI8UC9REINECS 207-497-5NSC 152100NSC-152100DTXSID1060055RefChem:783493DTXCID2040571
Show more names
Aids127260Aids-127260
207-497-5NSC152100C28H14O2Dibenzo[a,16-dioneUNII-U52LI8UC9RCHEMBL2003710SCHEMBL29890182CJADAVIATOALFB-UHFFFAOYSA-N
Database identifiers
- CAS
475-63-8- PubChem CID
- 68058
- DTXSID
DTXSID1060055- ChEMBL
CHEMBL2003710- UNII
- U52LI8UC9R
- EC Number
- 207-497-5
- Nikkaji
- J12.551B
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 679
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 296 °C · 296 °C(Solv: xylene (1330-20-7))
- Boiling point
- 680.3 · 680.3±25.0 °C(Predicted)
- Density
- 1.424 · 1.424±0.06 g/cm3(Predicted)
- FDA UNII
- 52 LI8UC9R · U52LI8UC9R
- EPA Substance Registry System
- -7 · Dibenzo[a,o]perylene-7,16-dione (475-63-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationDibenzo[a,o]perylene-7,16-dione: INACTIVE
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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