Basic information
- CAS
61290-25-3- Standard SMILES
O=c1c2ccccc2[nH]c2c([N+](=O)[O-])ccc(Oc3ccc(CCc4ccc(Oc5ccc([N+](=O)[O-])c6[nH]c7ccccc7c(=O)c56)cc4)cc3)c12- InChIKey
LVSPSNLKKLQYSE-UHFFFAOYSA-N- Molecular formula
- C40H26N4O8
- Average molar mass
- 690.7 g/mol
- Monoisotopic mass
- 690.1750638
Names & identifiers
- Preferred name
- 4-nitro-1-[4-[2-[4-[(4-nitro-9-oxo-10H-acridin-1-yl)oxy]phenyl]ethyl]phenoxy]-10H-acridin-9-one
- IUPAC
- 4-nitro-1-[4-[2-[4-[(4-nitro-9-oxo-10H-acridin-1-yl)oxy]phenyl]ethyl]phenoxy]-10H-acridin-9-one
Names & synonyms
NSC29183061290-25-3DTXSID50315075NSC-2918301,1'-[Ethane-1,2-diylbis(4,1-phenyleneoxy)]bis(4-nitroacridin-9(10H)-one)
Database identifiers
- CAS
61290-25-3- PubChem CID
- 324871
- DTXSID
DTXSID50315075
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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