Basic information
- CAS
125520-26-5- Standard SMILES
O=C1C=C(C2=C(C3=CC(=O)c4ccccc4C3=O)C(=O)c3ccccc3C2=O)C(=O)c2ccccc21- InChIKey
JIVXUZHUGUHWIF-UHFFFAOYSA-N- Molecular formula
- C30H14O6
- Average molar mass
- 470.4 g/mol
- Monoisotopic mass
- 470.07903816
Names & identifiers
- Preferred name
- 2,2':3',2''-Ternaphthalene-1,1',1'',4,4',4''-hexone
- IUPAC
- 2,3-bis(1,4-dioxonaphthalen-2-yl)naphthalene-1,4-dione
Names & synonyms
NSC698088125520-26-5[2,2':3',2''-Ternaphthalene]-1,1',1'',4,4',4''-hexoneCHEMBL1972614DTXSID40327869JIVXUZHUGUHWIF-UHFFFAOYSA-N2,2':3',2''-Ternaphthalene-1,1',1'',4,4',4''-hexoneNSC-698088NCI60_0350712,3-bis(1,4-dioxo-2-naphthyl)naphthalene-1,4-dione2,2':3',2''-Ternaphthyl-1,1',1'',4,4',4''-hexone[1~2~,2~2~:2~3~,3~2~-Ternaphthalene]-1~1~,1~4~,2~1~,2~4~,3~1~,3~4~-hexone
Database identifiers
- CAS
125520-26-5- PubChem CID
- 394543
- DTXSID
DTXSID40327869- ChEMBL
CHEMBL1972614- Nikkaji
- J610.159C
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…