2-[2-(2-bromophenyl)phenyl]ethynyl-trimethylsilane

C17H17BrSi — CID 86021587

IUPAC2-[2-(2-bromophenyl)phenyl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccccc1-c1ccccc1Br
InChIInChI=1S/C17H17BrSi/c1-19(2,3)13-12-14-8-4-5-9-15(14)16-10-6-7-11-17(16)18/h4-11H,1-3H3
InChIKeyUCAMJSLAOYERBW-UHFFFAOYSA-N
MW329.31 g/mol
LogP5.34
Rot. Bonds1

About 2-[2-(2-bromophenyl)phenyl]ethynyl-trimethylsilane

2-[2-(2-bromophenyl)phenyl]ethynyl-trimethylsilane (PubChem CID 86021587) has the molecular formula C17H17BrSi and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-[2-(2-bromophenyl)phenyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[2-(2-bromophenyl)phenyl]ethynyl-trimethylsilane
PubChem CID86021587
Molecular FormulaC17H17BrSi
Molecular Weight329.31 g/mol
Exact Mass328.03
IUPAC Name2-[2-(2-bromophenyl)phenyl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccccc1-c1ccccc1Br
InChIInChI=1S/C17H17BrSi/c1-19(2,3)13-12-14-8-4-5-9-15(14)16-10-6-7-11-17(16)18/h4-11H,1-3H3
InChIKeyUCAMJSLAOYERBW-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.31
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-Bromophenylethynyl)trimethylsilane
CID 4547398
1-Bromo-2-(4-phenyl-but-3-ynyl)-benzene
CID 10731831
2-(6-Bromonaphthalen-2-yl)ethynyl-triethylsilane
CID 10807465
Trimethylsilylethynyl tolane
CID 15645299
2-(4-Bromophenyl)ethynyl-dimethyl-phenylsilane
CID 140704455
1,9-Dibromo-5,5-dimethylbenzo[b][1]benzosilole
CID 101791977
1-Bromo-2-[2-(2-methylphenyl)ethynyl]benzene
CID 101964484
2-(2-Bromophenyl)ethynyl-diphenylsilane
CID 177930155
1,1'-Biphenyl, 2-bromo-2'-methyl-
CID 23443514
Bis(4-bromo-2-methyl-1h-inden-1-yl)dimethylsilane
CID 59832509
1-Bromo-2-(2-methylbenzyl)benzene
CID 71318489
1,2-Bis[2-(2-bromophenyl)ethynyl]benzene
CID 86090484

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenyl)phenyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[2-(2-bromophenyl)phenyl]ethynyl-trimethylsilane (CID 86021587) is 2-[2-(2-bromophenyl)phenyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[2-(2-bromophenyl)phenyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[2-(2-bromophenyl)phenyl]ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1ccccc1-c1ccccc1Br.
What is the InChIKey of 2-[2-(2-bromophenyl)phenyl]ethynyl-trimethylsilane?
The InChIKey is UCAMJSLAOYERBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrSi/c1-19(2,3)13-12-14-8-4-5-9-15(14)16-10-6-7-11-17(16)18/h4-11H,1-3H3.
What are the key properties of 2-[2-(2-bromophenyl)phenyl]ethynyl-trimethylsilane?
2-[2-(2-bromophenyl)phenyl]ethynyl-trimethylsilane has a molecular weight of 329.31 g/mol, XLogP of 5.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenyl)phenyl]ethynyl-trimethylsilane is sourced from PubChem (CID 86021587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).