2,2,4,4,6,6,8,8-octakis(3-chlorophenyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C48H32Cl8O4Si4 — CID 101075919

IUPAC2,2,4,4,6,6,8,8-octakis(3-chlorophenyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESClc1cccc([Si]2(c3cccc(Cl)c3)O[Si](c3cccc(Cl)c3)(c3cccc(Cl)c3)O[Si](c3cccc(Cl)c3)(c3cccc(Cl)c3)O[Si](c3cccc(Cl)c3)(c3cccc(Cl)c3)O2)c1
InChIInChI=1S/C48H32Cl8O4Si4/c49-33-9-1-17-41(25-33)61(42-18-2-10-34(50)26-42)57-62(43-19-3-11-35(51)27-43,44-20-4-12-36(52)28-44)59-64(47-23-7-15-39(55)31-47,48-24-8-16-40(56)32-48)60-63(58-61,45-21-5-13-37(53)29-45)46-22-6-14-38(54)30-46/h1-32H
InChIKeyWFTDSZWYKFQJHZ-UHFFFAOYSA-N
MW1068.75 g/mol
LogP10.32
Rot. Bonds8

About 2,2,4,4,6,6,8,8-octakis(3-chlorophenyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2,2,4,4,6,6,8,8-octakis(3-chlorophenyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 101075919) has the molecular formula C48H32Cl8O4Si4 and a molecular weight of 1068.75 g/mol. Its IUPAC name is 2,2,4,4,6,6,8,8-octakis(3-chlorophenyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2,2,4,4,6,6,8,8-octakis(3-chlorophenyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID101075919
Molecular FormulaC48H32Cl8O4Si4
Molecular Weight1068.75 g/mol
Exact Mass1063.89
IUPAC Name2,2,4,4,6,6,8,8-octakis(3-chlorophenyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESClc1cccc([Si]2(c3cccc(Cl)c3)O[Si](c3cccc(Cl)c3)(c3cccc(Cl)c3)O[Si](c3cccc(Cl)c3)(c3cccc(Cl)c3)O[Si](c3cccc(Cl)c3)(c3cccc(Cl)c3)O2)c1
InChIInChI=1S/C48H32Cl8O4Si4/c49-33-9-1-17-41(25-33)61(42-18-2-10-34(50)26-42)57-62(43-19-3-11-35(51)27-43,44-20-4-12-36(52)28-44)59-64(47-23-7-15-39(55)31-47,48-24-8-16-40(56)32-48)60-63(58-61,45-21-5-13-37(53)29-45)46-22-6-14-38(54)30-46/h1-32H
InChIKeyWFTDSZWYKFQJHZ-UHFFFAOYSA-N
XLogP10.32
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001068.75
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2,4,4,6,6,8,8-octakis(3-chlorophenyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6,8,8-octakis(3-chlorophenyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2,2,4,4,6,6,8,8-octakis(3-chlorophenyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 101075919) is 2,2,4,4,6,6,8,8-octakis(3-chlorophenyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2,2,4,4,6,6,8,8-octakis(3-chlorophenyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2,2,4,4,6,6,8,8-octakis(3-chlorophenyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is Clc1cccc([Si]2(c3cccc(Cl)c3)O[Si](c3cccc(Cl)c3)(c3cccc(Cl)c3)O[Si](c3cccc(Cl)c3)(c3cccc(Cl)c3)O[Si](c3cccc(Cl)c3)(c3cccc(Cl)c3)O2)c1.
What is the InChIKey of 2,2,4,4,6,6,8,8-octakis(3-chlorophenyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is WFTDSZWYKFQJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32Cl8O4Si4/c49-33-9-1-17-41(25-33)61(42-18-2-10-34(50)26-42)57-62(43-19-3-11-35(51)27-43,44-20-4-12-36(52)28-44)59-64(47-23-7-15-39(55)31-47,48-24-8-16-40(56)32-48)60-63(58-61,45-21-5-13-37(53)29-45)46-22-6-14-38(54)30-46/h1-32H.
What are the key properties of 2,2,4,4,6,6,8,8-octakis(3-chlorophenyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2,2,4,4,6,6,8,8-octakis(3-chlorophenyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 1068.75 g/mol, XLogP of 10.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8,8-octakis(3-chlorophenyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 101075919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).