diphenyl-bis(4-triphenylsilylphenyl)silane

C60H48Si3 — CID 59336453

IUPACdiphenyl-bis(4-triphenylsilylphenyl)silane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C60H48Si3/c1-9-25-49(26-10-1)61(50-27-11-2-12-28-50,51-29-13-3-14-30-51)57-41-45-59(46-42-57)63(55-37-21-7-22-38-55,56-39-23-8-24-40-56)60-47-43-58(44-48-60)62(52-31-15-4-16-32-52,53-33-17-5-18-34-53)54-35-19-6-20-36-54/h1-48H
InChIKeyQEKZOTRGIUHUEK-UHFFFAOYSA-N
MW853.30 g/mol
LogP5.82
Rot. Bonds12

About diphenyl-bis(4-triphenylsilylphenyl)silane

diphenyl-bis(4-triphenylsilylphenyl)silane (PubChem CID 59336453) has the molecular formula C60H48Si3 and a molecular weight of 853.30 g/mol. Its IUPAC name is diphenyl-bis(4-triphenylsilylphenyl)silane.

Molecular Properties

Compound Namediphenyl-bis(4-triphenylsilylphenyl)silane
PubChem CID59336453
Molecular FormulaC60H48Si3
Molecular Weight853.30 g/mol
Exact Mass852.31
IUPAC Namediphenyl-bis(4-triphenylsilylphenyl)silane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C60H48Si3/c1-9-25-49(26-10-1)61(50-27-11-2-12-28-50,51-29-13-3-14-30-51)57-41-45-59(46-42-57)63(55-37-21-7-22-38-55,56-39-23-8-24-40-56)60-47-43-58(44-48-60)62(52-31-15-4-16-32-52,53-33-17-5-18-34-53)54-35-19-6-20-36-54/h1-48H
InChIKeyQEKZOTRGIUHUEK-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.30
LogP ≤ 55.82
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 diphenyl-bis(4-triphenylsilylphenyl)silane?
The IUPAC name of diphenyl-bis(4-triphenylsilylphenyl)silane (CID 59336453) is diphenyl-bis(4-triphenylsilylphenyl)silane.
What is the SMILES notation for diphenyl-bis(4-triphenylsilylphenyl)silane?
The canonical SMILES for diphenyl-bis(4-triphenylsilylphenyl)silane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of diphenyl-bis(4-triphenylsilylphenyl)silane?
The InChIKey is QEKZOTRGIUHUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48Si3/c1-9-25-49(26-10-1)61(50-27-11-2-12-28-50,51-29-13-3-14-30-51)57-41-45-59(46-42-57)63(55-37-21-7-22-38-55,56-39-23-8-24-40-56)60-47-43-58(44-48-60)62(52-31-15-4-16-32-52,53-33-17-5-18-34-53)54-35-19-6-20-36-54/h1-48H.
What are the key properties of diphenyl-bis(4-triphenylsilylphenyl)silane?
diphenyl-bis(4-triphenylsilylphenyl)silane has a molecular weight of 853.30 g/mol, XLogP of 5.82, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-bis(4-triphenylsilylphenyl)silane is sourced from PubChem (CID 59336453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).