[(E)-2-(4-bromophenyl)ethenyl]-triphenylsilane

C26H21BrSi — CID 132821935

IUPAC[(E)-2-(4-bromophenyl)ethenyl]-triphenylsilane
SMILESBrc1ccc(/C=C/[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H21BrSi/c27-23-18-16-22(17-19-23)20-21-28(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-21H/b21-20+
InChIKeyZKSQAYNZKCCWIX-QZQOTICOSA-N
MW441.44 g/mol
LogP5.17
Rot. Bonds5

About [(E)-2-(4-bromophenyl)ethenyl]-triphenylsilane

[(E)-2-(4-bromophenyl)ethenyl]-triphenylsilane (PubChem CID 132821935) has the molecular formula C26H21BrSi and a molecular weight of 441.44 g/mol. Its IUPAC name is [(E)-2-(4-bromophenyl)ethenyl]-triphenylsilane.

Molecular Properties

Compound Name[(E)-2-(4-bromophenyl)ethenyl]-triphenylsilane
PubChem CID132821935
Molecular FormulaC26H21BrSi
Molecular Weight441.44 g/mol
Exact Mass440.06
IUPAC Name[(E)-2-(4-bromophenyl)ethenyl]-triphenylsilane
SMILESBrc1ccc(/C=C/[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H21BrSi/c27-23-18-16-22(17-19-23)20-21-28(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-21H/b21-20+
InChIKeyZKSQAYNZKCCWIX-QZQOTICOSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.44
LogP ≤ 55.17
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

triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane
CID 59955085
N-phenyl-N-[4-[4-(2-triphenylsilylethenyl)phenyl]phenyl]pyridin-2-amine
CID 123423561
triphenyl-[4-[(E)-2-[4-[(E)-2-(4-triphenylsilylphenyl)ethenyl]phenyl]ethenyl]phenyl]silane
CID 101341484
1-bromo-4-[(E)-3,3-diphenylprop-1-enyl]benzene
CID 132851009
bis[(E)-2-phenylethenyl]-bis[4-[(E)-2-phenylethenyl]phenyl]silane
CID 20654544
1-bromo-3-[(Z)-2-(4-bromophenyl)ethenyl]benzene
CID 67720671
1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene
CID 85439739
2,7-bis[2-(4-bromophenyl)ethenyl]naphthalene
CID 71410772
1,3-dibromo-5-(2-phenylethenyl)benzene
CID 74389715
N,N-diphenyl-8-(2-triphenylsilylethenyl)dibenzothiophen-2-amine
CID 123348498
(E)-3-(4-bromophenyl)-N-phenylprop-2-en-1-imine
CID 135076458
1-bromo-4-(3-phenylbut-1-enyl)benzene
CID 162347455

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(4-bromophenyl)ethenyl]-triphenylsilane?
The IUPAC name of [(E)-2-(4-bromophenyl)ethenyl]-triphenylsilane (CID 132821935) is [(E)-2-(4-bromophenyl)ethenyl]-triphenylsilane.
What is the SMILES notation for [(E)-2-(4-bromophenyl)ethenyl]-triphenylsilane?
The canonical SMILES for [(E)-2-(4-bromophenyl)ethenyl]-triphenylsilane is Brc1ccc(/C=C/[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(E)-2-(4-bromophenyl)ethenyl]-triphenylsilane?
The InChIKey is ZKSQAYNZKCCWIX-QZQOTICOSA-N. The full InChI is InChI=1S/C26H21BrSi/c27-23-18-16-22(17-19-23)20-21-28(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-21H/b21-20+.
What are the key properties of [(E)-2-(4-bromophenyl)ethenyl]-triphenylsilane?
[(E)-2-(4-bromophenyl)ethenyl]-triphenylsilane has a molecular weight of 441.44 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(4-bromophenyl)ethenyl]-triphenylsilane is sourced from PubChem (CID 132821935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).