AC1NS5R0 structure

AC1NS5R0

8-(cyclohexyliminomethyl)-2-[8-(cyclohexyliminomethyl)-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: (1Z)-1-[(cyclohexylamino)methylidene]-7-[(8Z)-8-[(cyclohexyl|(8Z,8'Z)-8,8'-Bis[(cyclohexylamino)methylidene]-1,1',6,6'-tetrahydroxy-3,3'-dimethyl-5,5'-di(propan-2-yl)[2,2'-binaphthalene]-7,7'(8H,8'H)-dione|1-[(cyclohexylamino)methylidene]-7-[8-[(cyclohexylamino)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|8-(Cyclohexyliminomethyl)-2-[8-(cyclohexyliminomethyl)-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl]-3-methyl-5-propan-2-ylnaphthalene-1,6,7-triol

CAS: 6318-18-9
Molecular Formula C42H52N2O6
Molecular Weight 680.3825 g/mol
LogP 9.6
Topological Polar Surface Area 146.0 Ų
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 8
Rotatable Bonds 7
Exact Mass 680.3825
Monoisotopic Mass 680.3825
Heavy Atoms 50
Complexity 1060.0

Chemical Identifiers

CAS Number 6318-18-9
SMILES CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=NC3CCCCC3)C(=C1C4=C(C5=C(C=C4C)C(=C(C(=C5C=NC6CCCCC6)O)O)C(C)C)O)O
InChIKey QREKBHRKJWETOD-UHFFFAOYSA-N

Product Overview

AC1NS5R0 (CAS 6318-18-9), with molecular formula C42H52N2O6 and molecular weight 680.3825 g/mol. IUPAC: 8-(cyclohexyliminomethyl)-2-[8-(cyclohexyliminomethyl)-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl]-3-methyl-5-propan-2-ylnaphthalene-1,6,7-triol.

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