Basic information
- CAS
6945-74-0- Standard SMILES
Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3cccc(C(F)(F)F)c3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3cccc(C(F)(F)F)c3)c2c1O- InChIKey
ZMLFJSYUBNFMFX-UHFFFAOYSA-N- Molecular formula
- C44H38F6N2O6
- Average molar mass
- 804.8 g/mol
- Monoisotopic mass
- 804.26340591
Names & identifiers
- Preferred name
- 5-isopropyl-3-methyl-8-[(E)-[3-(trifluoromethyl)phenyl]iminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(E)-[3-(trifluoromethyl)phenyl]iminomethyl]-2-naphthyl]naphthalene-1,6,7-triol
- IUPAC
- 3-methyl-5-propan-2-yl-8-[[3-(trifluoromethyl)phenyl]iminomethyl]-2-[1,6,7-trihydroxy-3-methyl-5-propan-2-yl-8-[[3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-yl]naphthalene-1,6,7-triol
- English name
- 7-[1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-yl-8-[[[3-(trifluoromethyl) phenyl]amino]methylidene]naphthalen-2-yl]-3,8-dihydroxy-6-methyl-4-pro pan-2-yl-1-[[[3-(trifluoromethyl)phenyl]amino]methylidene]naphthalen-2 -one
- Molecular formula
- C44H38F6N2O6
- Molecular weight
- 804.77
Names & synonyms
6945-74-0NSC52530NSC-525305,5'-Diisopropyl-3,3'-dimethyl-8,8'-bis(((3-(trifluoromethyl)phenyl)imino)methyl)-[2,2'-binaphthalene]-1,1',6,6',7,7'-hexaol5,5'-diisopropyl-3,3'-dimethyl-8,8'-bis((E)-((3-(trifluoromethyl)phenyl)imino)methyl)-2,2'-binaphthalene-1,1',6,6',7,7'-hexol5,5'-diisopropyl-3,3'-dimethyl-8,8'-bis((E)-{[3-(trifluoromethyl)phenyl]imino}methyl)-2,2'-binaphthalene-1,1',6,6',7,7'-hexol8N8V9FYS5HSCHEMBL28499640NSC 525305-isopropyl-3-methyl-8-[(E)-[3-(trifluoromethyl)phenyl]iminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(E)-[3-(trifluoromethyl)phenyl]iminomethyl]-2-naphthyl]naphthalene-1,6,7-triol[2,2'-Binaphthalene]-1,1',6,6',7,7'-hexol, 3,3'-dimethyl-5,5'-bis(1-methylethyl)-8,8'-bis[[[3-(trifluoromethyl)phenyl]imino]methyl]-3,3'-Dimethyl-5,5'-bis(1-methylethyl)-8,8'-bis[[[3-(trifluoromethyl)phenyl]imino]methyl][2,2'-binaphthalene]-1,1',6,6',7,7'-hexol
Properties
Computed structural properties
- XLogP
- 11.3
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 7
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,330
Physicochemical properties
- Boiling point
- 866.126 · 866.126±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.379 · 1.379±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.064 · 7.064±0.50(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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