[2-[(E)-2-(2-ethenylphenyl)ethenyl]-5-[(E)-2-[2-[(E)-2-[4-[(E)-2-(2-ethenylphenyl)ethenyl]-2,5-bis(trimethylsilyl)phenyl]ethenyl]phenyl]ethenyl]-4-trimethylsilylphenyl]-trimethylsilane

C54H66Si4 — CID 101048545

IUPAC[2-[(E)-2-(2-ethenylphenyl)ethenyl]-5-[(E)-2-[2-[(E)-2-[4-[(E)-2-(2-ethenylphenyl)ethenyl]-2,5-bis(trimethylsilyl)phenyl]ethenyl]phenyl]ethenyl]-4-trimethylsilylphenyl]-trimethylsilane
SMILESC=Cc1ccccc1/C=C/c1cc([Si](C)(C)C)c(/C=C/c2ccccc2/C=C/c2cc([Si](C)(C)C)c(/C=C/c3ccccc3C=C)cc2[Si](C)(C)C)cc1[Si](C)(C)C
InChIInChI=1S/C54H66Si4/c1-15-41-23-17-19-25-43(41)29-33-47-37-53(57(9,10)11)49(39-51(47)55(3,4)5)35-31-45-27-21-22-28-46(45)32-36-50-40-52(56(6,7)8)48(38-54(50)58(12,13)14)34-30-44-26-20-18-24-42(44)16-2/h15-40H,1-2H2,3-14H3/b33-29+,34-30+,35-31+,36-32+
InChIKeyWGAHFXAIEVESLH-MCTOCYMBSA-N
MW827.47 g/mol
LogP13.84
Rot. Bonds14

About [2-[(E)-2-(2-ethenylphenyl)ethenyl]-5-[(E)-2-[2-[(E)-2-[4-[(E)-2-(2-ethenylphenyl)ethenyl]-2,5-bis(trimethylsilyl)phenyl]ethenyl]phenyl]ethenyl]-4-trimethylsilylphenyl]-trimethylsilane

[2-[(E)-2-(2-ethenylphenyl)ethenyl]-5-[(E)-2-[2-[(E)-2-[4-[(E)-2-(2-ethenylphenyl)ethenyl]-2,5-bis(trimethylsilyl)phenyl]ethenyl]phenyl]ethenyl]-4-trimethylsilylphenyl]-trimethylsilane (PubChem CID 101048545) has the molecular formula C54H66Si4 and a molecular weight of 827.47 g/mol. Its IUPAC name is [2-[(E)-2-(2-ethenylphenyl)ethenyl]-5-[(E)-2-[2-[(E)-2-[4-[(E)-2-(2-ethenylphenyl)ethenyl]-2,5-bis(trimethylsilyl)phenyl]ethenyl]phenyl]ethenyl]-4-trimethylsilylphenyl]-trimethylsilane.

Molecular Properties

Compound Name[2-[(E)-2-(2-ethenylphenyl)ethenyl]-5-[(E)-2-[2-[(E)-2-[4-[(E)-2-(2-ethenylphenyl)ethenyl]-2,5-bis(trimethylsilyl)phenyl]ethenyl]phenyl]ethenyl]-4-trimethylsilylphenyl]-trimethylsilane
PubChem CID101048545
Molecular FormulaC54H66Si4
Molecular Weight827.47 g/mol
Exact Mass826.42
IUPAC Name[2-[(E)-2-(2-ethenylphenyl)ethenyl]-5-[(E)-2-[2-[(E)-2-[4-[(E)-2-(2-ethenylphenyl)ethenyl]-2,5-bis(trimethylsilyl)phenyl]ethenyl]phenyl]ethenyl]-4-trimethylsilylphenyl]-trimethylsilane
SMILESC=Cc1ccccc1/C=C/c1cc([Si](C)(C)C)c(/C=C/c2ccccc2/C=C/c2cc([Si](C)(C)C)c(/C=C/c3ccccc3C=C)cc2[Si](C)(C)C)cc1[Si](C)(C)C
InChIInChI=1S/C54H66Si4/c1-15-41-23-17-19-25-43(41)29-33-47-37-53(57(9,10)11)49(39-51(47)55(3,4)5)35-31-45-27-21-22-28-46(45)32-36-50-40-52(56(6,7)8)48(38-54(50)58(12,13)14)34-30-44-26-20-18-24-42(44)16-2/h15-40H,1-2H2,3-14H3/b33-29+,34-30+,35-31+,36-32+
InChIKeyWGAHFXAIEVESLH-MCTOCYMBSA-N
XLogP13.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.47
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [2-[(E)-2-(2-ethenylphenyl)ethenyl]-5-[(E)-2-[2-[(E)-2-[4-[(E)-2-(2-ethenylphenyl)ethenyl]-2,5-bis(trimethylsilyl)phenyl]ethenyl]phenyl]ethenyl]-4-trimethylsilylphenyl]-trimethylsilane with MolForge

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Related Compounds

1-ethenyl-2-[2-(2-ethenylphenyl)ethenyl]benzene
CID 162779028
CID 67878092
CID 67878092
1,2-bis(ethenyl)benzene;platinum
CID 175428021
2-[(E)-2-(2-ethenylphenyl)ethenyl]-5-methylfuran
CID 14547808
1,2-bis(ethenyl)benzene;ethane;prop-1-ene
CID 143139503
1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane
CID 143099406
2-[(Z)-2-(2-ethenylphenyl)ethenyl]furan
CID 14547807
1,2-bis(ethenyl)benzene;2-tert-butylperoxy-2-methylpropane
CID 162247147
[2-[(E)-2-[2,5-bis(trimethylsilyl)phenyl]ethenyl]-4-trimethylsilylphenyl]-trimethylsilane
CID 101013161
1,2-bis(ethenyl)benzene;ethene;naphthalene
CID 166536804
ethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane
CID 142250050
1,2-bis(ethenyl)benzene;2-methylbuta-1,3-diene
CID 6454102

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-2-(2-ethenylphenyl)ethenyl]-5-[(E)-2-[2-[(E)-2-[4-[(E)-2-(2-ethenylphenyl)ethenyl]-2,5-bis(trimethylsilyl)phenyl]ethenyl]phenyl]ethenyl]-4-trimethylsilylphenyl]-trimethylsilane?
The IUPAC name of [2-[(E)-2-(2-ethenylphenyl)ethenyl]-5-[(E)-2-[2-[(E)-2-[4-[(E)-2-(2-ethenylphenyl)ethenyl]-2,5-bis(trimethylsilyl)phenyl]ethenyl]phenyl]ethenyl]-4-trimethylsilylphenyl]-trimethylsilane (CID 101048545) is [2-[(E)-2-(2-ethenylphenyl)ethenyl]-5-[(E)-2-[2-[(E)-2-[4-[(E)-2-(2-ethenylphenyl)ethenyl]-2,5-bis(trimethylsilyl)phenyl]ethenyl]phenyl]ethenyl]-4-trimethylsilylphenyl]-trimethylsilane.
What is the SMILES notation for [2-[(E)-2-(2-ethenylphenyl)ethenyl]-5-[(E)-2-[2-[(E)-2-[4-[(E)-2-(2-ethenylphenyl)ethenyl]-2,5-bis(trimethylsilyl)phenyl]ethenyl]phenyl]ethenyl]-4-trimethylsilylphenyl]-trimethylsilane?
The canonical SMILES for [2-[(E)-2-(2-ethenylphenyl)ethenyl]-5-[(E)-2-[2-[(E)-2-[4-[(E)-2-(2-ethenylphenyl)ethenyl]-2,5-bis(trimethylsilyl)phenyl]ethenyl]phenyl]ethenyl]-4-trimethylsilylphenyl]-trimethylsilane is C=Cc1ccccc1/C=C/c1cc([Si](C)(C)C)c(/C=C/c2ccccc2/C=C/c2cc([Si](C)(C)C)c(/C=C/c3ccccc3C=C)cc2[Si](C)(C)C)cc1[Si](C)(C)C.
What is the InChIKey of [2-[(E)-2-(2-ethenylphenyl)ethenyl]-5-[(E)-2-[2-[(E)-2-[4-[(E)-2-(2-ethenylphenyl)ethenyl]-2,5-bis(trimethylsilyl)phenyl]ethenyl]phenyl]ethenyl]-4-trimethylsilylphenyl]-trimethylsilane?
The InChIKey is WGAHFXAIEVESLH-MCTOCYMBSA-N. The full InChI is InChI=1S/C54H66Si4/c1-15-41-23-17-19-25-43(41)29-33-47-37-53(57(9,10)11)49(39-51(47)55(3,4)5)35-31-45-27-21-22-28-46(45)32-36-50-40-52(56(6,7)8)48(38-54(50)58(12,13)14)34-30-44-26-20-18-24-42(44)16-2/h15-40H,1-2H2,3-14H3/b33-29+,34-30+,35-31+,36-32+.
What are the key properties of [2-[(E)-2-(2-ethenylphenyl)ethenyl]-5-[(E)-2-[2-[(E)-2-[4-[(E)-2-(2-ethenylphenyl)ethenyl]-2,5-bis(trimethylsilyl)phenyl]ethenyl]phenyl]ethenyl]-4-trimethylsilylphenyl]-trimethylsilane?
[2-[(E)-2-(2-ethenylphenyl)ethenyl]-5-[(E)-2-[2-[(E)-2-[4-[(E)-2-(2-ethenylphenyl)ethenyl]-2,5-bis(trimethylsilyl)phenyl]ethenyl]phenyl]ethenyl]-4-trimethylsilylphenyl]-trimethylsilane has a molecular weight of 827.47 g/mol, XLogP of 13.84, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-2-(2-ethenylphenyl)ethenyl]-5-[(E)-2-[2-[(E)-2-[4-[(E)-2-(2-ethenylphenyl)ethenyl]-2,5-bis(trimethylsilyl)phenyl]ethenyl]phenyl]ethenyl]-4-trimethylsilylphenyl]-trimethylsilane is sourced from PubChem (CID 101048545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).