(+/-)-1,1',1''-[[3-(Octadecyloxy)-2-(phenylmethoxy)propoxy]methylidyne]trisbenzene

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Basic information

CAS: 106972-47-8
Standard SMILES: CCCCCCCCCCCCCCCCCCOCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIKey: XMOFHRRSYPDBSC-UHFFFAOYSA-N
Molecular formula: C47H64O3
Average molar mass: 677 g/mol
Monoisotopic mass: 676.4855459

Names & identifiers

Preferred name: (+/-)-1,1',1''-[[3-(Octadecyloxy)-2-(phenylmethoxy)propoxy]methylidyne]trisbenzene
IUPAC: [(3-octadecoxy-2-phenylmethoxypropoxy)-diphenylmethyl]benzene

Names & synonyms

106972-47-8DTXSID401135832(+/-)-1,1',1''-[[3-(Octadecyloxy)-2-(phenylmethoxy)propoxy]methylidyne]trisbenzene1,1',1''-{[2-(Benzyloxy)-3-(octadecyloxy)propoxy]methanetriyl}tribenzeneBenzene, 1,1a(2),1a(2)a(2)-[[3-(octadecyloxy)-2-(phenylmethoxy)propoxy]methylidyne]tris-

Database identifiers

CAS: 106972-47-8
PubChem CID: 13786992
DTXSID: DTXSID401135832

Properties

Computed structural properties

XLogP: 14.8
Topological polar surface area: 27.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 28
Heavy atoms: 50
Formal charge: 0
Complexity: 713

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Compound notes

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