tris(3-methylphenyl)-triphenylsilyloxysilane

C39H36OSi2 — CID 5140856

IUPACtris(3-methylphenyl)-triphenylsilyloxysilane
SMILESCc1cccc([Si](O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(c2cccc(C)c2)c2cccc(C)c2)c1
InChIInChI=1S/C39H36OSi2/c1-31-16-13-25-37(28-31)42(38-26-14-17-32(2)29-38,39-27-15-18-33(3)30-39)40-41(34-19-7-4-8-20-34,35-21-9-5-10-22-35)36-23-11-6-12-24-36/h4-30H,1-3H3
InChIKeyNVWGTGHHEGPNRV-UHFFFAOYSA-N
MW576.89 g/mol
LogP5.26
Rot. Bonds8

About tris(3-methylphenyl)-triphenylsilyloxysilane

tris(3-methylphenyl)-triphenylsilyloxysilane (PubChem CID 5140856) has the molecular formula C39H36OSi2 and a molecular weight of 576.89 g/mol. Its IUPAC name is tris(3-methylphenyl)-triphenylsilyloxysilane.

Molecular Properties

Compound Nametris(3-methylphenyl)-triphenylsilyloxysilane
PubChem CID5140856
Molecular FormulaC39H36OSi2
Molecular Weight576.89 g/mol
Exact Mass576.23
IUPAC Nametris(3-methylphenyl)-triphenylsilyloxysilane
SMILESCc1cccc([Si](O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(c2cccc(C)c2)c2cccc(C)c2)c1
InChIInChI=1S/C39H36OSi2/c1-31-16-13-25-37(28-31)42(38-26-14-17-32(2)29-38,39-27-15-18-33(3)30-39)40-41(34-19-7-4-8-20-34,35-21-9-5-10-22-35)36-23-11-6-12-24-36/h4-30H,1-3H3
InChIKeyNVWGTGHHEGPNRV-UHFFFAOYSA-N
XLogP5.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.89
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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(3-methylphenyl)-triphenylsilyloxysilane?
The IUPAC name of tris(3-methylphenyl)-triphenylsilyloxysilane (CID 5140856) is tris(3-methylphenyl)-triphenylsilyloxysilane.
What is the SMILES notation for tris(3-methylphenyl)-triphenylsilyloxysilane?
The canonical SMILES for tris(3-methylphenyl)-triphenylsilyloxysilane is Cc1cccc([Si](O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(c2cccc(C)c2)c2cccc(C)c2)c1.
What is the InChIKey of tris(3-methylphenyl)-triphenylsilyloxysilane?
The InChIKey is NVWGTGHHEGPNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36OSi2/c1-31-16-13-25-37(28-31)42(38-26-14-17-32(2)29-38,39-27-15-18-33(3)30-39)40-41(34-19-7-4-8-20-34,35-21-9-5-10-22-35)36-23-11-6-12-24-36/h4-30H,1-3H3.
What are the key properties of tris(3-methylphenyl)-triphenylsilyloxysilane?
tris(3-methylphenyl)-triphenylsilyloxysilane has a molecular weight of 576.89 g/mol, XLogP of 5.26, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-methylphenyl)-triphenylsilyloxysilane is sourced from PubChem (CID 5140856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).