diethylsilane;1,1,2,2,3,3,4,4-octakis-phenyltetrasiletane

C52H52Si5 — CID 173104885

IUPACdiethylsilane;1,1,2,2,3,3,4,4-octakis-phenyltetrasiletane
SMILESCC[SiH2]CC.c1ccc([Si]2(c3ccccc3)[Si](c3ccccc3)(c3ccccc3)[Si](c3ccccc3)(c3ccccc3)[Si]2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H40Si4.C4H12Si/c1-9-25-41(26-10-1)49(42-27-11-2-12-28-42)50(43-29-13-3-14-30-43,44-31-15-4-16-32-44)52(47-37-21-7-22-38-47,48-39-23-8-24-40-48)51(49,45-33-17-5-18-34-45)46-35-19-6-20-36-46;1-3-5-4-2/h1-40H;3-5H2,1-2H3
InChIKeyBWQDAMWNQUFLCL-UHFFFAOYSA-N
MW817.42 g/mol
LogP6.40
Rot. Bonds10

About diethylsilane;1,1,2,2,3,3,4,4-octakis-phenyltetrasiletane

diethylsilane;1,1,2,2,3,3,4,4-octakis-phenyltetrasiletane (PubChem CID 173104885) has the molecular formula C52H52Si5 and a molecular weight of 817.42 g/mol. Its IUPAC name is diethylsilane;1,1,2,2,3,3,4,4-octakis-phenyltetrasiletane.

Molecular Properties

Compound Namediethylsilane;1,1,2,2,3,3,4,4-octakis-phenyltetrasiletane
PubChem CID173104885
Molecular FormulaC52H52Si5
Molecular Weight817.42 g/mol
Exact Mass816.29
IUPAC Namediethylsilane;1,1,2,2,3,3,4,4-octakis-phenyltetrasiletane
SMILESCC[SiH2]CC.c1ccc([Si]2(c3ccccc3)[Si](c3ccccc3)(c3ccccc3)[Si](c3ccccc3)(c3ccccc3)[Si]2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H40Si4.C4H12Si/c1-9-25-41(26-10-1)49(42-27-11-2-12-28-42)50(43-29-13-3-14-30-43,44-31-15-4-16-32-44)52(47-37-21-7-22-38-47,48-39-23-8-24-40-48)51(49,45-33-17-5-18-34-45)46-35-19-6-20-36-46;1-3-5-4-2/h1-40H;3-5H2,1-2H3
InChIKeyBWQDAMWNQUFLCL-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.42
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of diethylsilane;1,1,2,2,3,3,4,4-octakis-phenyltetrasiletane?
The IUPAC name of diethylsilane;1,1,2,2,3,3,4,4-octakis-phenyltetrasiletane (CID 173104885) is diethylsilane;1,1,2,2,3,3,4,4-octakis-phenyltetrasiletane.
What is the SMILES notation for diethylsilane;1,1,2,2,3,3,4,4-octakis-phenyltetrasiletane?
The canonical SMILES for diethylsilane;1,1,2,2,3,3,4,4-octakis-phenyltetrasiletane is CC[SiH2]CC.c1ccc([Si]2(c3ccccc3)[Si](c3ccccc3)(c3ccccc3)[Si](c3ccccc3)(c3ccccc3)[Si]2(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diethylsilane;1,1,2,2,3,3,4,4-octakis-phenyltetrasiletane?
The InChIKey is BWQDAMWNQUFLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40Si4.C4H12Si/c1-9-25-41(26-10-1)49(42-27-11-2-12-28-42)50(43-29-13-3-14-30-43,44-31-15-4-16-32-44)52(47-37-21-7-22-38-47,48-39-23-8-24-40-48)51(49,45-33-17-5-18-34-45)46-35-19-6-20-36-46;1-3-5-4-2/h1-40H;3-5H2,1-2H3.
What are the key properties of diethylsilane;1,1,2,2,3,3,4,4-octakis-phenyltetrasiletane?
diethylsilane;1,1,2,2,3,3,4,4-octakis-phenyltetrasiletane has a molecular weight of 817.42 g/mol, XLogP of 6.40, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethylsilane;1,1,2,2,3,3,4,4-octakis-phenyltetrasiletane is sourced from PubChem (CID 173104885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).