[diphenyl(triphenylsilyloxy)silyl]oxy-[hydroxy(diphenyl)silyl]oxy-diphenylsilane

C54H46O4Si4 — CID 18323248

IUPAC[diphenyl(triphenylsilyloxy)silyl]oxy-[hydroxy(diphenyl)silyl]oxy-diphenylsilane
SMILESO[Si](O[Si](O[Si](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C54H46O4Si4/c55-60(49-34-16-4-17-35-49,50-36-18-5-19-37-50)57-62(53-42-24-8-25-43-53,54-44-26-9-27-45-54)58-61(51-38-20-6-21-39-51,52-40-22-7-23-41-52)56-59(46-28-10-1-11-29-46,47-30-12-2-13-31-47)48-32-14-3-15-33-48/h1-45,55H
InChIKeyXBOGUHJMXURICT-UHFFFAOYSA-N
MW871.30 g/mol
LogP5.47
Rot. Bonds15

About [diphenyl(triphenylsilyloxy)silyl]oxy-[hydroxy(diphenyl)silyl]oxy-diphenylsilane

[diphenyl(triphenylsilyloxy)silyl]oxy-[hydroxy(diphenyl)silyl]oxy-diphenylsilane (PubChem CID 18323248) has the molecular formula C54H46O4Si4 and a molecular weight of 871.30 g/mol. Its IUPAC name is [diphenyl(triphenylsilyloxy)silyl]oxy-[hydroxy(diphenyl)silyl]oxy-diphenylsilane.

Molecular Properties

Compound Name[diphenyl(triphenylsilyloxy)silyl]oxy-[hydroxy(diphenyl)silyl]oxy-diphenylsilane
PubChem CID18323248
Molecular FormulaC54H46O4Si4
Molecular Weight871.30 g/mol
Exact Mass870.25
IUPAC Name[diphenyl(triphenylsilyloxy)silyl]oxy-[hydroxy(diphenyl)silyl]oxy-diphenylsilane
SMILESO[Si](O[Si](O[Si](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C54H46O4Si4/c55-60(49-34-16-4-17-35-49,50-36-18-5-19-37-50)57-62(53-42-24-8-25-43-53,54-44-26-9-27-45-54)58-61(51-38-20-6-21-39-51,52-40-22-7-23-41-52)56-59(46-28-10-1-11-29-46,47-30-12-2-13-31-47)48-32-14-3-15-33-48/h1-45,55H
InChIKeyXBOGUHJMXURICT-UHFFFAOYSA-N
XLogP5.47
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms62
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.30
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [diphenyl(triphenylsilyloxy)silyl]oxy-[hydroxy(diphenyl)silyl]oxy-diphenylsilane?
The IUPAC name of [diphenyl(triphenylsilyloxy)silyl]oxy-[hydroxy(diphenyl)silyl]oxy-diphenylsilane (CID 18323248) is [diphenyl(triphenylsilyloxy)silyl]oxy-[hydroxy(diphenyl)silyl]oxy-diphenylsilane.
What is the SMILES notation for [diphenyl(triphenylsilyloxy)silyl]oxy-[hydroxy(diphenyl)silyl]oxy-diphenylsilane?
The canonical SMILES for [diphenyl(triphenylsilyloxy)silyl]oxy-[hydroxy(diphenyl)silyl]oxy-diphenylsilane is O[Si](O[Si](O[Si](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [diphenyl(triphenylsilyloxy)silyl]oxy-[hydroxy(diphenyl)silyl]oxy-diphenylsilane?
The InChIKey is XBOGUHJMXURICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H46O4Si4/c55-60(49-34-16-4-17-35-49,50-36-18-5-19-37-50)57-62(53-42-24-8-25-43-53,54-44-26-9-27-45-54)58-61(51-38-20-6-21-39-51,52-40-22-7-23-41-52)56-59(46-28-10-1-11-29-46,47-30-12-2-13-31-47)48-32-14-3-15-33-48/h1-45,55H.
What are the key properties of [diphenyl(triphenylsilyloxy)silyl]oxy-[hydroxy(diphenyl)silyl]oxy-diphenylsilane?
[diphenyl(triphenylsilyloxy)silyl]oxy-[hydroxy(diphenyl)silyl]oxy-diphenylsilane has a molecular weight of 871.30 g/mol, XLogP of 5.47, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl(triphenylsilyloxy)silyl]oxy-[hydroxy(diphenyl)silyl]oxy-diphenylsilane is sourced from PubChem (CID 18323248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).