tris(4-fluorophenyl)-tris(4-fluorophenyl)silylsilane

C36H24F6Si2 — CID 139653647

IUPACtris(4-fluorophenyl)-tris(4-fluorophenyl)silylsilane
SMILESFc1ccc([Si](c2ccc(F)cc2)(c2ccc(F)cc2)[Si](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C36H24F6Si2/c37-25-1-13-31(14-2-25)43(32-15-3-26(38)4-16-32,33-17-5-27(39)6-18-33)44(34-19-7-28(40)8-20-34,35-21-9-29(41)10-22-35)36-23-11-30(42)12-24-36/h1-24H
InChIKeyJYFMHHMJIOOAQG-UHFFFAOYSA-N
MW626.75 g/mol
LogP5.24
Rot. Bonds7

About tris(4-fluorophenyl)-tris(4-fluorophenyl)silylsilane

tris(4-fluorophenyl)-tris(4-fluorophenyl)silylsilane (PubChem CID 139653647) has the molecular formula C36H24F6Si2 and a molecular weight of 626.75 g/mol. Its IUPAC name is tris(4-fluorophenyl)-tris(4-fluorophenyl)silylsilane.

Molecular Properties

Compound Nametris(4-fluorophenyl)-tris(4-fluorophenyl)silylsilane
PubChem CID139653647
Molecular FormulaC36H24F6Si2
Molecular Weight626.75 g/mol
Exact Mass626.13
IUPAC Nametris(4-fluorophenyl)-tris(4-fluorophenyl)silylsilane
SMILESFc1ccc([Si](c2ccc(F)cc2)(c2ccc(F)cc2)[Si](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C36H24F6Si2/c37-25-1-13-31(14-2-25)43(32-15-3-26(38)4-16-32,33-17-5-27(39)6-18-33)44(34-19-7-28(40)8-20-34,35-21-9-29(41)10-22-35)36-23-11-30(42)12-24-36/h1-24H
InChIKeyJYFMHHMJIOOAQG-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.75
LogP ≤ 55.24
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 tris(4-fluorophenyl)-tris(4-fluorophenyl)silylsilane?
The IUPAC name of tris(4-fluorophenyl)-tris(4-fluorophenyl)silylsilane (CID 139653647) is tris(4-fluorophenyl)-tris(4-fluorophenyl)silylsilane.
What is the SMILES notation for tris(4-fluorophenyl)-tris(4-fluorophenyl)silylsilane?
The canonical SMILES for tris(4-fluorophenyl)-tris(4-fluorophenyl)silylsilane is Fc1ccc([Si](c2ccc(F)cc2)(c2ccc(F)cc2)[Si](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of tris(4-fluorophenyl)-tris(4-fluorophenyl)silylsilane?
The InChIKey is JYFMHHMJIOOAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24F6Si2/c37-25-1-13-31(14-2-25)43(32-15-3-26(38)4-16-32,33-17-5-27(39)6-18-33)44(34-19-7-28(40)8-20-34,35-21-9-29(41)10-22-35)36-23-11-30(42)12-24-36/h1-24H.
What are the key properties of tris(4-fluorophenyl)-tris(4-fluorophenyl)silylsilane?
tris(4-fluorophenyl)-tris(4-fluorophenyl)silylsilane has a molecular weight of 626.75 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-fluorophenyl)-tris(4-fluorophenyl)silylsilane is sourced from PubChem (CID 139653647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).