Phenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris[5-(hexyloxy)-6-methyl- - CAS 222529-65-9
Catalog: |
BB054446 |
Product Name: |
Phenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris[5-(hexyloxy)-6-methyl- |
CAS: |
222529-65-9 |
Synonyms: |
2,2,2-(1,3,5-Triazine-2,4,6-triyl)tris[5-(hexyloxy)-6-methylphenol]; 6,6',6''-(1,3,5-Triazine-2,4,6-triyl)tris(3-(hexyloxy)-2-methylphenol) |
IUPAC Name: | 6-[4,6-bis(4-hexoxy-2-hydroxy-3-methylphenyl)-1,3,5-triazin-2-yl]-3-hexoxy-2-methylphenol |
Molecular Weight: | 699.9 |
Molecular Formula: | C42H57N3O6 |
Canonical SMILES: | CCCCCCOC1=C(C(=C(C=C1)C2=NC(=NC(=N2)C3=C(C(=C(C=C3)OCCCCCC)C)O)C4=C(C(=C(C=C4)OCCCCCC)C)O)O)C |
InChI: | InChI=1S/C42H57N3O6/c1-7-10-13-16-25-49-34-22-19-31(37(46)28(34)4)40-43-41(32-20-23-35(29(5)38(32)47)50-26-17-14-11-8-2)45-42(44-40)33-21-24-36(30(6)39(33)48)51-27-18-15-12-9-3/h19-24,46-48H,7-18,25-27H2,1-6H3 |
InChI Key: | DFANMEUHPMJFDO-UHFFFAOYSA-N |
Complexity: | 805 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 699.42473655 |
Formal Charge: | 0 |
Heavy Atom Count: | 51 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 699.42473655 |
Rotatable Bond Count: | 21 |
Topological Polar Surface Area: | 127 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 11.9 |
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