bis(triphenylsilyl)silyl-triphenylsilane

C54H46Si4 — CID 123616761

IUPACbis(triphenylsilyl)silyl-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)[SiH]([Si](c2ccccc2)(c2ccccc2)c2ccccc2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C54H46Si4/c1-10-28-46(29-11-1)56(47-30-12-2-13-31-47,48-32-14-3-15-33-48)55(57(49-34-16-4-17-35-49,50-36-18-5-19-37-50)51-38-20-6-21-39-51)58(52-40-22-7-23-41-52,53-42-24-8-25-43-53)54-44-26-9-27-45-54/h1-45,55H
InChIKeyDJOZDEBKXJNZES-UHFFFAOYSA-N
MW807.31 g/mol
LogP5.96
Rot. Bonds12

About bis(triphenylsilyl)silyl-triphenylsilane

bis(triphenylsilyl)silyl-triphenylsilane (PubChem CID 123616761) has the molecular formula C54H46Si4 and a molecular weight of 807.31 g/mol. Its IUPAC name is bis(triphenylsilyl)silyl-triphenylsilane.

Molecular Properties

Compound Namebis(triphenylsilyl)silyl-triphenylsilane
PubChem CID123616761
Molecular FormulaC54H46Si4
Molecular Weight807.31 g/mol
Exact Mass806.27
IUPAC Namebis(triphenylsilyl)silyl-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)[SiH]([Si](c2ccccc2)(c2ccccc2)c2ccccc2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C54H46Si4/c1-10-28-46(29-11-1)56(47-30-12-2-13-31-47,48-32-14-3-15-33-48)55(57(49-34-16-4-17-35-49,50-36-18-5-19-37-50)51-38-20-6-21-39-51)58(52-40-22-7-23-41-52,53-42-24-8-25-43-53)54-44-26-9-27-45-54/h1-45,55H
InChIKeyDJOZDEBKXJNZES-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.31
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(triphenylsilyl)silyl-triphenylsilane?
The IUPAC name of bis(triphenylsilyl)silyl-triphenylsilane (CID 123616761) is bis(triphenylsilyl)silyl-triphenylsilane.
What is the SMILES notation for bis(triphenylsilyl)silyl-triphenylsilane?
The canonical SMILES for bis(triphenylsilyl)silyl-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)[SiH]([Si](c2ccccc2)(c2ccccc2)c2ccccc2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(triphenylsilyl)silyl-triphenylsilane?
The InChIKey is DJOZDEBKXJNZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H46Si4/c1-10-28-46(29-11-1)56(47-30-12-2-13-31-47,48-32-14-3-15-33-48)55(57(49-34-16-4-17-35-49,50-36-18-5-19-37-50)51-38-20-6-21-39-51)58(52-40-22-7-23-41-52,53-42-24-8-25-43-53)54-44-26-9-27-45-54/h1-45,55H.
What are the key properties of bis(triphenylsilyl)silyl-triphenylsilane?
bis(triphenylsilyl)silyl-triphenylsilane has a molecular weight of 807.31 g/mol, XLogP of 5.96, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(triphenylsilyl)silyl-triphenylsilane is sourced from PubChem (CID 123616761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).