NSC52529
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
Also Known As: 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|(1Z)-1-[(3-fluoro-4-methylanilino)methylidene]-7-[(8Z)-8-[(3|(1Z)-1-[(3-fluoro-4-methylanilino)methylidene]-7-[(8Z)-8-[(3-fluoro-4-methylanilino)methylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-4-propan-2-ylnaphthalen-2-one|[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)-|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|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-triol
| Molecular Formula | C44H42F2N2O6 |
|---|---|
| Molecular Weight | 732.3011 g/mol |
| LogP | 10.4 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 732.3011 |
| Monoisotopic Mass | 732.3011 |
| Heavy Atoms | 54 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 6945-73-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N=CC2=C(C(=C(C3=C2C(=C(C(=C3)C)C4=C(C5=C(C=C4C)C(=C(C(=C5C=NC6=CC(=C(C=C6)C)F)O)O)C(C)C)O)O)C(C)C)O)O)F |
| InChIKey | CSXJGNGPMPASGH-UHFFFAOYSA-N |
Product Overview
NSC52529 (CAS 6945-73-9), with molecular formula C44H42F2N2O6 and molecular weight 732.3011 g/mol. 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.