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(E)-3,5,4'-Tribenzyloxystilbene

CAT: 0572-TRC-T770300-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T770300-5GSize:5 g
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CAS Number
89946-06-5
Synonyms
1,3-Bis(phenylmethoxy)-5-[(1E)-2-[4-(phenylmethoxy)phenyl]ethenyl]benzene; Benzene, 1,3-bis(phenylmethoxy)-5-[2-[4-(phenylmethoxy)phenyl]ethenyl]-, ‚¬; (E)-1-[4-(Benzyloxy)phenyl]-2-[3,5-bis(benzyloxy)phenyl]ethene; (E)-3,5,4'-Tribenzyloxystilbene
Hazard Statement
No Data Available
Smiles
C1(OCC2=CC=CC=C2)=CC(OCC3=CC=CC=C3)=CC(/C=C/C4=CC=C(OCC5=CC=CC=C5)C=C4)=C1
Molecular Formula
C35H30O3
Molecular Weight
498.61
InChI
InChI=1S/C35H30O3/c1-4-10-29(11-5-1)25-36-33-20-18-28(19-21-33)16-17-32-22-34(37-26-30-12-6-2-7-13-30)24-35(23-32)38-27-31-14-8-3-9-15-31/h1-24H,25-27H2/b17-16+
Additionnal Information
IUPAC name: (E)-(((5-(4-(benzyloxy)styryl)-1,3-phenylene)bis(oxy))bis(methylene))dibenzene
Shipping Conditions
Room Temperature

Chemical Information

(E)-3,5,4'-Tribenzyloxystilbene
CAS Number89946-06-5
PubChem CID10217778
IUPAC Name1,3-bis(phenylmethoxy)-5-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]benzene
Molecular FormulaC35H30O3
Molecular Weight498.6
XLogP8.6
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Heavy Atom Count38
Formal Charge0
Complexity620
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C/C3=CC(=CC(=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C35H30O3/c1-4-10-29(11-5-1)25-36-33-20-18-28(19-21-33)16-17-32-22-34(37-26-30-12-6-2-7-13-30)24-35(23-32)38-27-31-14-8-3-9-15-31/h1-24H,25-27H2/b17-16+
InChIKey
DNTQLVRXOUFTAQ-WUKNDPDISA-N
Chemical Structure
2D Structure
2D structure of (E)-3,5,4'-Tribenzyloxystilbene
CAS: 89946-06-5
CID: 10217778
Formula: C35H30O3
MW: 498.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.6
XLogP38.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Exact Mass498.21949481
Monoisotopic Mass498.21949481
Topological Polar Surface Area27.7 Ų
Heavy Atom Count38
Formal Charge0
Complexity620
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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