CAS 5256-79-1|八苯基-POSS®|八苯基-POSS|Octaphenylsilsesquioxane|八苯基八硅倍半氧烷|1,3,5,7,9,11,13,15-Octaphenylpentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane|octaphenylpentacyclo[9.5.1.1<sup>3<...

General Information

Structure

Molecular Formula

C₄₈H₄₀O₁₂Si₈

Molecular Mass

1033.508

Exact Mass

1032.06738898

Charge

InChI

InChI=1S/C48H40O12Si8/c1-9-25-41(26-10-1)61-49-62(42-27-11-2-12-28-42)52-65(45-33-17-5-18-34-45)54-63(50-61,43-29-13-3-14-30-43)56-67(47-37-21-7-22-38-47)57-64(51-61,44-31-15-4-16-32-44)55-66(53-62,46-35-19-6-20-36-46)59-68(58-65,60-67)48-39-23-8-24-40-48/h1-40H

InChIKey

KBXJHRABGYYAFC-UHFFFAOYSA-N

Canonic Smiles

c1ccc(cc1)[Si]12O[Si]3(O[Si]4(O[Si](O2)(O[Si]2(O[Si](O1)(O[Si](O3)(O[Si](O4)(O2)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1

Isomeric Smiles

c1ccc(cc1)[Si]12O[Si]3(O[Si]4(O[Si](O1)(O[Si]1(O[Si](O2)(O[Si](O3)(O[Si](O4)(O1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

16.432

LogD (pH = 7.4)

16.432

Log P

16.432

Molar Refractivity

219.9968

Polarizability

105.596855

Polar Surface Area

110.76

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

Synonyms

八苯基-POSS®八苯基-POSSOctaphenylsilsesquioxane八苯基八硅倍半氧烷1,3,5,7,9,11,13,15-Octaphenylpentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane1,3,5,7,9,11,13,15-八苯基五环[9.5.1.13,9.15,15.17,13]八硅氧烷PSS-Octaphenyl substitutedOctaphenyl-POSS®

IUPAC name

octaphenylpentacyclo[9.5.1.1³,⁹.1⁵,¹⁵.1⁷,¹³]octasiloxane

IUPAC Traditional name

octaphenylpentacyclo[9.5.1.1³,⁹.1⁵,¹⁵.1⁷,¹³]octasiloxane

Registration numbers

PubChem SID

24874584162238968

CAS Number

5256-79-1

MDL Number

MFCD00308870

PubChem CID