(2,2'-binaphthalene)-1,1',6,6',7,7'-hexol, 3,3'-dimethyl-5,5'-bis(1-methylethyl)-8,8'-bis((E/Z)-((9E/Z)-9-octadecenylimino)methyl)-
Basic information
- CAS
5422-61-7- Standard SMILES
CCCCCCCCC=CCCCCCCCCN=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NCCCCCCCCC=CCCCCCCCC)c4c3O)c(O)c12- InChIKey
TUFOURVYMCBXJO-UHFFFAOYSA-N- Molecular formula
- C66H100N2O6
- Average molar mass
- 1,017.5 g/mol
- Monoisotopic mass
- 1,016.75813891
Names & identifiers
- Preferred name
- (2,2'-binaphthalene)-1,1',6,6',7,7'-hexol, 3,3'-dimethyl-5,5'-bis(1-methylethyl)-8,8'-bis((E/Z)-((9E/Z)-9-octadecenylimino)methyl)-
- IUPAC
- 3-methyl-8-(octadec-9-enyliminomethyl)-5-propan-2-yl-2-[1,6,7-trihydroxy-3-methyl-8-(octadec-9-enyliminomethyl)-5-propan-2-ylnaphthalen-2-yl]naphthalene-1,6,7-triol
Names & synonyms
NSC 119895422-61-7(2,2'-binaphthalene)-1,1',6,6',7,7'-hexol, 3,3'-dimethyl-5,5'-bis(1-methylethyl)-8,8'-bis((E/Z)-((9E/Z)-9-octadecenylimino)methyl)-NSC11989[2,2'-binaphthalene]-1,1',6,6',7,7'-hexol, 3,3'-dimethyl-5,5'-bis(1-methylethyl)-8,8'-bis[(E/Z)-[(9E/Z)-9-octadecenylimino]methyl]-5-isopropyl-3-methyl-8-[(E)-octadec-9-enyliminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(E)-octadec-9-enyliminomethyl]-2-naphthyl]naphthalene-1,6,7-triol
Database identifiers
- CAS
5422-61-7- PubChem CID
- 223897
Properties
Computed structural properties
- XLogP
- 21.9
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 37
- Heavy atoms
- 74
- Formal charge
- 0
- Complexity
- 1,440
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