8,8'-Bis(((3-fluoro-4-methylphenyl)imino)methyl)-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-1,1',6,6',7,7'-hexaol
Basic information
- CAS
6945-73-9- Standard SMILES
Cc1ccc(N=Cc2c(O)c(O)c(C(C)C)c3cc(C)c(-c4c(C)cc5c(C(C)C)c(O)c(O)c(C=Nc6ccc(C)c(F)c6)c5c4O)c(O)c23)cc1F- InChIKey
CSXJGNGPMPASGH-UHFFFAOYSA-N- Molecular formula
- C44H42F2N2O6
- Average molar mass
- 732.8 g/mol
- Monoisotopic mass
- 732.30109339
Names & identifiers
- Preferred name
- 8,8'-Bis(((3-fluoro-4-methylphenyl)imino)methyl)-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-1,1',6,6',7,7'-hexaol
- IUPAC
- 8-[(3-fluoro-4-methylphenyl)iminomethyl]-2-[8-[(3-fluoro-4-methylphenyl)iminomethyl]-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl]-3-methyl-5-propan-2-ylnaphthalene-1,6,7-triol
- English name
- 1-[[(3-fluoro-4-methyl-phenyl)amino]methylidene]-7-[8-[[(3-fluoro-4-me thyl-phenyl)amino]methylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2 -yl-naphthalen-2-yl]-3,8-dihydroxy-6-methyl-4-propan-2-yl-naphthalen-2 -one
- Molecular formula
- C44H42F2N2O6
- Molecular weight
- 732.81
Names & synonyms
6945-73-9NSC525298,8'-Bis(((3-fluoro-4-methylphenyl)imino)methyl)-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-1,1',6,6',7,7'-hexaolNSC-52529[2,2'-Binaphthalene]-1,1',6,6',7,7'-hexol, 8-[(E)-[(3-fluoro-4-methylphenyl)imino]methyl]-8'-[(Z)-[(3-fluoro-4-methylphenyl)imino]methyl]-3,3'-dimethyl-5,5'-bis(1-methylethyl)-8-[(Z)-(3-fluoro-4-methyl-phenyl)iminomethyl]-2-[8-[(E)-(3-fluoro-4-methyl-phenyl)iminomethyl]-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl]-5-isopropyl-3-methyl-naphthalene-1,6,7-triol1-[[(3-fluoro-4-methyl-phenyl)amino]methylidene]-7-[8-[[(3-fluoro-4-me thyl-phenyl)amino]methylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2 -yl-naphthalen-2-yl]-3,8-dihydroxy-6-methyl-4-propan-2-yl-naphthalen-2 -one
Database identifiers
- CAS
6945-73-9- PubChem CID
- 243198
Properties
Computed structural properties
- XLogP
- 10.4
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,210
Physicochemical properties
- Boiling point
- 893.453 · 893.453±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.309 · 1.309±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.046 · 7.046±0.50(predicted)
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