[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-[[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-diphenylsilyl]oxy-diphenylsilane

C60H64B2O9Si4 — CID 100993384

IUPAC[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-[[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-diphenylsilyl]oxy-diphenylsilane
SMILESCC1(C)OB(O[Si](O[Si](O[Si](O[Si](OB2OC(C)(C)C(C)(C)O2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)OC1(C)C
InChIInChI=1S/C60H64B2O9Si4/c1-57(2)58(3,4)64-61(63-57)67-72(49-33-17-9-18-34-49,50-35-19-10-20-36-50)69-74(53-41-25-13-26-42-53,54-43-27-14-28-44-54)71-75(55-45-29-15-30-46-55,56-47-31-16-32-48-56)70-73(51-37-21-11-22-38-51,52-39-23-12-24-40-52)68-62-65-59(5,6)60(7,8)66-62/h9-48H,1-8H3
InChIKeyPGVCLEZEWSJACQ-UHFFFAOYSA-N
MW1063.13 g/mol
LogP7.27
Rot. Bonds18

About [diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-[[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-diphenylsilyl]oxy-diphenylsilane

[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-[[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-diphenylsilyl]oxy-diphenylsilane (PubChem CID 100993384) has the molecular formula C60H64B2O9Si4 and a molecular weight of 1063.13 g/mol. Its IUPAC name is [diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-[[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-diphenylsilyl]oxy-diphenylsilane.

Molecular Properties

Compound Name[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-[[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-diphenylsilyl]oxy-diphenylsilane
PubChem CID100993384
Molecular FormulaC60H64B2O9Si4
Molecular Weight1063.13 g/mol
Exact Mass1062.38
IUPAC Name[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-[[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-diphenylsilyl]oxy-diphenylsilane
SMILESCC1(C)OB(O[Si](O[Si](O[Si](O[Si](OB2OC(C)(C)C(C)(C)O2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)OC1(C)C
InChIInChI=1S/C60H64B2O9Si4/c1-57(2)58(3,4)64-61(63-57)67-72(49-33-17-9-18-34-49,50-35-19-10-20-36-50)69-74(53-41-25-13-26-42-53,54-43-27-14-28-44-54)71-75(55-45-29-15-30-46-55,56-47-31-16-32-48-56)70-73(51-37-21-11-22-38-51,52-39-23-12-24-40-52)68-62-65-59(5,6)60(7,8)66-62/h9-48H,1-8H3
InChIKeyPGVCLEZEWSJACQ-UHFFFAOYSA-N
XLogP7.27
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms75
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001063.13
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-[[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-diphenylsilyl]oxy-diphenylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-[[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-diphenylsilyl]oxy-diphenylsilane?
The IUPAC name of [diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-[[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-diphenylsilyl]oxy-diphenylsilane (CID 100993384) is [diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-[[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-diphenylsilyl]oxy-diphenylsilane.
What is the SMILES notation for [diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-[[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-diphenylsilyl]oxy-diphenylsilane?
The canonical SMILES for [diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-[[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-diphenylsilyl]oxy-diphenylsilane is CC1(C)OB(O[Si](O[Si](O[Si](O[Si](OB2OC(C)(C)C(C)(C)O2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)OC1(C)C.
What is the InChIKey of [diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-[[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-diphenylsilyl]oxy-diphenylsilane?
The InChIKey is PGVCLEZEWSJACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H64B2O9Si4/c1-57(2)58(3,4)64-61(63-57)67-72(49-33-17-9-18-34-49,50-35-19-10-20-36-50)69-74(53-41-25-13-26-42-53,54-43-27-14-28-44-54)71-75(55-45-29-15-30-46-55,56-47-31-16-32-48-56)70-73(51-37-21-11-22-38-51,52-39-23-12-24-40-52)68-62-65-59(5,6)60(7,8)66-62/h9-48H,1-8H3.
What are the key properties of [diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-[[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-diphenylsilyl]oxy-diphenylsilane?
[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-[[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-diphenylsilyl]oxy-diphenylsilane has a molecular weight of 1063.13 g/mol, XLogP of 7.27, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-[[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-diphenylsilyl]oxy-diphenylsilane is sourced from PubChem (CID 100993384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).