hexaphenyltrisiloxane

C36H30O2Si3 — CID 87857369

IUPAC—
SMILESc1ccc([Si](O[Si]O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H30O2Si3/c1-7-19-31(20-8-1)40(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39-38-41(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H
InChIKeyCMWRUTZCSFMXJQ-UHFFFAOYSA-N
MW578.89 g/mol
LogP3.89
Rot. Bonds10

About hexaphenyltrisiloxane

hexaphenyltrisiloxane (PubChem CID 87857369) has the molecular formula C36H30O2Si3 and a molecular weight of 578.89 g/mol.

Molecular Properties

Compound Namehexaphenyltrisiloxane
PubChem CID87857369
Molecular FormulaC36H30O2Si3
Molecular Weight578.89 g/mol
Exact Mass578.16
IUPAC Name—
SMILESc1ccc([Si](O[Si]O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H30O2Si3/c1-7-19-31(20-8-1)40(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39-38-41(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H
InChIKeyCMWRUTZCSFMXJQ-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.89
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

tris(triphenylsilyloxy)-[4-tris(triphenylsilyloxy)silylbut-2-enyl]silane
CID 89178916
triphenyl-(4-triphenylsilyloxyphenoxy)silane
CID 86209033
triphenyl-(2-triphenylsilyloxyphenoxy)silane
CID 154164167
triphenyl(silyloxy)silane
CID 123924949
triphenylsilyloxyaluminum(2+) dichloride
CID 173433919
[2,3,4,5,6-pentakis(triphenylsilyloxy)cyclohexyl]oxy-triphenylsilane
CID 102382950
[diphenyl(triphenylsilyloxy)silyl]oxy-[[[[[[diphenyl(triphenylsilyloxy)silyl]oxy-diphenylsilyl]oxy-diphenylsilyl]oxy-diphenylsilyl]oxy-diphenylsilyl]oxy-diphenylsilyl]oxy-diphenylsilane
CID 139707283
triphenylsilyl nitrite
CID 87559816
triphenyl(triphenylsilyloxysilyloxysilyloxy)silane
CID 154427207
octaphenyltetrasiloxane
CID 22722299
(2-methylpropan-2-yl)oxy-[4-[(2-methylpropan-2-yl)oxy-diphenylsilyl]phenyl]-diphenylsilane
CID 87143933
CID 11981400
CID 11981400

Frequently Asked Questions

What is the IUPAC name of hexaphenyltrisiloxane?
The IUPAC name of hexaphenyltrisiloxane (CID 87857369) is not available.
What is the SMILES notation for hexaphenyltrisiloxane?
The canonical SMILES for hexaphenyltrisiloxane is c1ccc([Si](O[Si]O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of hexaphenyltrisiloxane?
The InChIKey is CMWRUTZCSFMXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30O2Si3/c1-7-19-31(20-8-1)40(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39-38-41(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H.
What are the key properties of hexaphenyltrisiloxane?
hexaphenyltrisiloxane has a molecular weight of 578.89 g/mol, XLogP of 3.89, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexaphenyltrisiloxane is sourced from PubChem (CID 87857369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).