(3-bromo-5-triphenylsilylphenyl)-triphenylsilane

C42H33BrSi2 — CID 87693758

IUPAC(3-bromo-5-triphenylsilylphenyl)-triphenylsilane
SMILESBrc1cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C42H33BrSi2/c43-34-31-41(44(35-19-7-1-8-20-35,36-21-9-2-10-22-36)37-23-11-3-12-24-37)33-42(32-34)45(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-33H
InChIKeyGALLBYRUOQDHKR-UHFFFAOYSA-N
MW673.80 g/mol
LogP5.20
Rot. Bonds8

About (3-bromo-5-triphenylsilylphenyl)-triphenylsilane

(3-bromo-5-triphenylsilylphenyl)-triphenylsilane (PubChem CID 87693758) has the molecular formula C42H33BrSi2 and a molecular weight of 673.80 g/mol. Its IUPAC name is (3-bromo-5-triphenylsilylphenyl)-triphenylsilane.

Molecular Properties

Compound Name(3-bromo-5-triphenylsilylphenyl)-triphenylsilane
PubChem CID87693758
Molecular FormulaC42H33BrSi2
Molecular Weight673.80 g/mol
Exact Mass672.13
IUPAC Name(3-bromo-5-triphenylsilylphenyl)-triphenylsilane
SMILESBrc1cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C42H33BrSi2/c43-34-31-41(44(35-19-7-1-8-20-35,36-21-9-2-10-22-36)37-23-11-3-12-24-37)33-42(32-34)45(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-33H
InChIKeyGALLBYRUOQDHKR-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.80
LogP ≤ 55.20
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 (3-bromo-5-triphenylsilylphenyl)-triphenylsilane?
The IUPAC name of (3-bromo-5-triphenylsilylphenyl)-triphenylsilane (CID 87693758) is (3-bromo-5-triphenylsilylphenyl)-triphenylsilane.
What is the SMILES notation for (3-bromo-5-triphenylsilylphenyl)-triphenylsilane?
The canonical SMILES for (3-bromo-5-triphenylsilylphenyl)-triphenylsilane is Brc1cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (3-bromo-5-triphenylsilylphenyl)-triphenylsilane?
The InChIKey is GALLBYRUOQDHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33BrSi2/c43-34-31-41(44(35-19-7-1-8-20-35,36-21-9-2-10-22-36)37-23-11-3-12-24-37)33-42(32-34)45(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-33H.
What are the key properties of (3-bromo-5-triphenylsilylphenyl)-triphenylsilane?
(3-bromo-5-triphenylsilylphenyl)-triphenylsilane has a molecular weight of 673.80 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-triphenylsilylphenyl)-triphenylsilane is sourced from PubChem (CID 87693758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).