NSC52530

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

Also Known As: (1Z)-7-[(8Z)-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-yl-8-[[|5,5'-Diisopropyl-3,3'-dimethyl-8,8'-bis(((3-(trifluoromethyl)phenyl)imino)methyl)-[2,2'-binaphthalene]-1,1',6,6',7,7'-hexaol|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|5,5'-diisopropyl-3,3'-dimethyl-8,8'-bis((E)-((3-(trifluoromethyl)phenyl)imino)methyl)-2,2'-binaphthalene-1,1',6,6',7,7'-hexol|5,5'-diisopropyl-3,3'-dimethyl-8,8'-bis((E)-{[3-(trifluoromethyl)phenyl]imino}methyl)-2,2'-binaphthalene-1,1',6,6',7,7'-hexol

Molecular Formula	C44H38F6N2O6
Molecular Weight	804.2634 g/mol
LogP	11.3
Topological Polar Surface Area	146.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	14
Rotatable Bonds	7
Exact Mass	804.2634
Monoisotopic Mass	804.2634
Heavy Atoms	58
Complexity	1330.0

Chemical Identifiers

CAS Number	6945-74-0
SMILES	CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=NC3=CC=CC(=C3)C(F)(F)F)C(=C1C4=C(C5=C(C=C4C)C(=C(C(=C5C=NC6=CC=CC(=C6)C(F)(F)F)O)O)C(C)C)O)O
InChIKey	ZMLFJSYUBNFMFX-UHFFFAOYSA-N