[3,3-bis(1H-inden-1-yl)-5-triphenylsilyloxypentoxy]-triphenylsilane

C59H52O2Si2 — CID 18622602

IUPAC[3,3-bis(1H-inden-1-yl)-5-triphenylsilyloxypentoxy]-triphenylsilane
SMILESC1=CC(C(CCO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(CCO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C2C=Cc3ccccc32)c2ccccc21
InChIInChI=1S/C59H52O2Si2/c1-7-25-49(26-8-1)62(50-27-9-2-10-28-50,51-29-11-3-12-30-51)60-45-43-59(57-41-39-47-23-19-21-37-55(47)57,58-42-40-48-24-20-22-38-56(48)58)44-46-61-63(52-31-13-4-14-32-52,53-33-15-5-16-34-53)54-35-17-6-18-36-54/h1-42,57-58H,43-46H2
InChIKeyIZGLGMXXTBFPIU-UHFFFAOYSA-N
MW849.24 g/mol
LogP9.74
Rot. Bonds16

About [3,3-bis(1H-inden-1-yl)-5-triphenylsilyloxypentoxy]-triphenylsilane

[3,3-bis(1H-inden-1-yl)-5-triphenylsilyloxypentoxy]-triphenylsilane (PubChem CID 18622602) has the molecular formula C59H52O2Si2 and a molecular weight of 849.24 g/mol. Its IUPAC name is [3,3-bis(1H-inden-1-yl)-5-triphenylsilyloxypentoxy]-triphenylsilane.

Molecular Properties

Compound Name[3,3-bis(1H-inden-1-yl)-5-triphenylsilyloxypentoxy]-triphenylsilane
PubChem CID18622602
Molecular FormulaC59H52O2Si2
Molecular Weight849.24 g/mol
Exact Mass848.35
IUPAC Name[3,3-bis(1H-inden-1-yl)-5-triphenylsilyloxypentoxy]-triphenylsilane
SMILESC1=CC(C(CCO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(CCO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C2C=Cc3ccccc32)c2ccccc21
InChIInChI=1S/C59H52O2Si2/c1-7-25-49(26-8-1)62(50-27-9-2-10-28-50,51-29-11-3-12-30-51)60-45-43-59(57-41-39-47-23-19-21-37-55(47)57,58-42-40-48-24-20-22-38-56(48)58)44-46-61-63(52-31-13-4-14-32-52,53-33-15-5-16-34-53)54-35-17-6-18-36-54/h1-42,57-58H,43-46H2
InChIKeyIZGLGMXXTBFPIU-UHFFFAOYSA-N
XLogP9.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.24
LogP ≤ 59.74
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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Frequently Asked Questions

What is the IUPAC name of [3,3-bis(1H-inden-1-yl)-5-triphenylsilyloxypentoxy]-triphenylsilane?
The IUPAC name of [3,3-bis(1H-inden-1-yl)-5-triphenylsilyloxypentoxy]-triphenylsilane (CID 18622602) is [3,3-bis(1H-inden-1-yl)-5-triphenylsilyloxypentoxy]-triphenylsilane.
What is the SMILES notation for [3,3-bis(1H-inden-1-yl)-5-triphenylsilyloxypentoxy]-triphenylsilane?
The canonical SMILES for [3,3-bis(1H-inden-1-yl)-5-triphenylsilyloxypentoxy]-triphenylsilane is C1=CC(C(CCO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(CCO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C2C=Cc3ccccc32)c2ccccc21.
What is the InChIKey of [3,3-bis(1H-inden-1-yl)-5-triphenylsilyloxypentoxy]-triphenylsilane?
The InChIKey is IZGLGMXXTBFPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H52O2Si2/c1-7-25-49(26-8-1)62(50-27-9-2-10-28-50,51-29-11-3-12-30-51)60-45-43-59(57-41-39-47-23-19-21-37-55(47)57,58-42-40-48-24-20-22-38-56(48)58)44-46-61-63(52-31-13-4-14-32-52,53-33-15-5-16-34-53)54-35-17-6-18-36-54/h1-42,57-58H,43-46H2.
What are the key properties of [3,3-bis(1H-inden-1-yl)-5-triphenylsilyloxypentoxy]-triphenylsilane?
[3,3-bis(1H-inden-1-yl)-5-triphenylsilyloxypentoxy]-triphenylsilane has a molecular weight of 849.24 g/mol, XLogP of 9.74, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-bis(1H-inden-1-yl)-5-triphenylsilyloxypentoxy]-triphenylsilane is sourced from PubChem (CID 18622602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).