Basic information
- CAS
6945-75-1- Standard SMILES
Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(=O)C(O)=C3C(C)C)/C(=C/Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(=O)C(O)=C2C(C)C- InChIKey
BEBOXLIMFALREF-YXHOTNNGSA-N- Molecular formula
- C44H36F6N4O10
- Average molar mass
- 894.8 g/mol
- Monoisotopic mass
- 894.23356233
Names & identifiers
- Preferred name
- (8Z,8'Z)-1,1',6,6'-Tetrahydroxy-3,3'-dimethyl-8,8'-bis{[4-nitro-3-(trifluoromethyl)anilino]methylidene}-5,5'-di(propan-2-yl)[2,2'-binaphthalene]-7,7'(8H,8'H)-dione
- IUPAC
- (1Z)-7-[(8Z)-1,6-dihydroxy-3-methyl-8-[[4-nitro-3-(trifluoromethyl)anilino]methylidene]-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-1-[[4-nitro-3-(trifluoromethyl)anilino]methylidene]-4-propan-2-ylnaphthalen-2-one
Names & synonyms
DTXSID00712732(8Z,8'Z)-1,1',6,6'-Tetrahydroxy-3,3'-dimethyl-8,8'-bis{[4-nitro-3-(trifluoromethyl)anilino]methylidene}-5,5'-di(propan-2-yl)[2,2'-binaphthalene]-7,7'(8H,8'H)-dione
Database identifiers
- CAS
6945-75-1- PubChem CID
- 54599352
- DTXSID
DTXSID00712732
Properties
Computed structural properties
- XLogP
- 9.6
- Topological polar surface area
- 231 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 7
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 1,830
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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