Glossypol PhNCH deriv.
3-methyl-8-(phenyliminomethyl)-5-propan-2-yl-2-[1,6,7-trihydroxy-3-methyl-8-(phenyliminomethyl)-5-propan-2-ylnaphthalen-2-yl]naphthalene-1,6,7-triol
Also Known As: Glossypol PhNCH deriv.|NCI60_018444|(1Z)-1-(anilinomethylidene)-7-[(8Z)-8-(anilinomethylidene)-1|[2,2'-Binaphthalene]-1,1',6,6',7,7'-hexol, 3,3'-dimethyl-5,5'-bis(1-methylethyl)-8,8'-bis[(E)-(phenylimino)methyl]-|1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-8,8'-bis(phenyliminomethyl)-[2,2'-binaphthalene]|3,3 -Dimethyl-5,5 -diisopropyl-8,8 -bis(phenyliminomethyl)-2,2 -binaphthalene-1,1 ,6,6 ,7,7 -hexol|3,3'-dimethyl-8,8'-bis[(phenylimino)methyl]-5,5'-bis(propan-2-yl)-[2,2'-binaphthalene]-1,1',6,6',7,7'-hexol|5-isopropyl-3-methyl-8-[(E)-phenyliminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(E)-phenyliminomethyl]-2-naphthyl]naphthalene-1,6,7-triol|5-isopropyl-3-methyl-8-[(Z)-phenyliminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(Z)-phenyliminomethyl]-2-naphthyl]naphthalene-1,6,7-triol
| Molecular Formula | C42H40N2O6 |
|---|---|
| Molecular Weight | 668.28864 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 668.28864 |
| Monoisotopic Mass | 668.28864 |
| Heavy Atoms | 50 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 6952-36-9 |
|---|---|
| SMILES | CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=NC3=CC=CC=C3)C(=C1C4=C(C5=C(C=C4C)C(=C(C(=C5C=NC6=CC=CC=C6)O)O)C(C)C)O)O |
| InChIKey | KTLRJQOAHAQTEQ-UHFFFAOYSA-N |
Product Overview
Glossypol PhNCH deriv. (CAS 6952-36-9), with molecular formula C42H40N2O6 and molecular weight 668.28864 g/mol. IUPAC: 3-methyl-8-(phenyliminomethyl)-5-propan-2-yl-2-[1,6,7-trihydroxy-3-methyl-8-(phenyliminomethyl)-5-propan-2-ylnaphthalen-2-yl]naphthalene-1,6,7-triol.