[3-bromo-2,4,6-trideuterio-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane

C54H41BrSi2 — CID 168800170

IUPAC[3-bromo-2,4,6-trideuterio-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane
SMILES[2H]c1c(Br)c([2H])c([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccccc3)c2)c([2H])c1[Si](c1ccccc1)(c1ccccc1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C54H41BrSi2/c55-46-39-53(56(47-27-11-3-12-28-47,48-29-13-4-14-30-48)51-35-19-25-44(37-51)42-21-7-1-8-22-42)41-54(40-46)57(49-31-15-5-16-32-49,50-33-17-6-18-34-50)52-36-20-26-45(38-52)43-23-9-2-10-24-43/h1-41H/i39D,40D,41D
InChIKeyMJJMGMHPOXFTLD-UIICBMKKSA-N
MW829.02 g/mol
LogP8.54
Rot. Bonds10

About [3-bromo-2,4,6-trideuterio-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane

[3-bromo-2,4,6-trideuterio-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane (PubChem CID 168800170) has the molecular formula C54H41BrSi2 and a molecular weight of 829.02 g/mol. Its IUPAC name is [3-bromo-2,4,6-trideuterio-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane.

Molecular Properties

Compound Name[3-bromo-2,4,6-trideuterio-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane
PubChem CID168800170
Molecular FormulaC54H41BrSi2
Molecular Weight829.02 g/mol
Exact Mass827.21
IUPAC Name[3-bromo-2,4,6-trideuterio-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane
SMILES[2H]c1c(Br)c([2H])c([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccccc3)c2)c([2H])c1[Si](c1ccccc1)(c1ccccc1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C54H41BrSi2/c55-46-39-53(56(47-27-11-3-12-28-47,48-29-13-4-14-30-48)51-35-19-25-44(37-51)42-21-7-1-8-22-42)41-54(40-46)57(49-31-15-5-16-32-49,50-33-17-6-18-34-50)52-36-20-26-45(38-52)43-23-9-2-10-24-43/h1-41H/i39D,40D,41D
InChIKeyMJJMGMHPOXFTLD-UIICBMKKSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.02
LogP ≤ 58.54
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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Related Compounds

(3-bromo-2,4,5,6-tetradeuteriophenyl)-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane
CID 164843260
(3-bromophenyl)-tris(4-phenylphenyl)silane
CID 169002873
[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenyl-[2,4,6-trideuterio-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilyl]phenyl]silane
CID 169031735
(3-bromophenyl)-triphenylsilane
CID 158328099
[3-[diphenyl-(3-phenylphenyl)silyl]-5-methylphenyl]-diphenyl-(3-phenylphenyl)silane
CID 170660172
lithium;1-bromo-3-phenylbenzene;hydride
CID 174710414
1-bromo-3-phenylbenzene
CID 16449
CID 168800186
CID 168800186
[3-[4-[4-[4-[4,6-bis(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 158387824
triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane
CID 155622091
1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 126764180
(3-bromo-5-triphenylsilylphenyl)-triphenylsilane
CID 87693758

Frequently Asked Questions

What is the IUPAC name of [3-bromo-2,4,6-trideuterio-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane?
The IUPAC name of [3-bromo-2,4,6-trideuterio-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane (CID 168800170) is [3-bromo-2,4,6-trideuterio-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane.
What is the SMILES notation for [3-bromo-2,4,6-trideuterio-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane?
The canonical SMILES for [3-bromo-2,4,6-trideuterio-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane is [2H]c1c(Br)c([2H])c([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccccc3)c2)c([2H])c1[Si](c1ccccc1)(c1ccccc1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of [3-bromo-2,4,6-trideuterio-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane?
The InChIKey is MJJMGMHPOXFTLD-UIICBMKKSA-N. The full InChI is InChI=1S/C54H41BrSi2/c55-46-39-53(56(47-27-11-3-12-28-47,48-29-13-4-14-30-48)51-35-19-25-44(37-51)42-21-7-1-8-22-42)41-54(40-46)57(49-31-15-5-16-32-49,50-33-17-6-18-34-50)52-36-20-26-45(38-52)43-23-9-2-10-24-43/h1-41H/i39D,40D,41D.
What are the key properties of [3-bromo-2,4,6-trideuterio-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane?
[3-bromo-2,4,6-trideuterio-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane has a molecular weight of 829.02 g/mol, XLogP of 8.54, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-2,4,6-trideuterio-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane is sourced from PubChem (CID 168800170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).