diphenyl-bis[(E)-3-triphenylsilylprop-2-enyl]silane

C54H48Si3 — CID 15467024

IUPACdiphenyl-bis[(E)-3-triphenylsilylprop-2-enyl]silane
SMILESC(=C/[Si](c1ccccc1)(c1ccccc1)c1ccccc1)\C[Si](C/C=C/[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C54H48Si3/c1-9-27-47(28-10-1)55(48-29-11-2-12-30-48,43-25-45-56(49-31-13-3-14-32-49,50-33-15-4-16-34-50)51-35-17-5-18-36-51)44-26-46-57(52-37-19-6-20-38-52,53-39-21-7-22-40-53)54-41-23-8-24-42-54/h1-42,45-46H,43-44H2/b45-25+,46-26+
InChIKeyHUBSZGNAUPRNPL-HMFMVHCKSA-N
MW781.24 g/mol
LogP7.78
Rot. Bonds14

About diphenyl-bis[(E)-3-triphenylsilylprop-2-enyl]silane

diphenyl-bis[(E)-3-triphenylsilylprop-2-enyl]silane (PubChem CID 15467024) has the molecular formula C54H48Si3 and a molecular weight of 781.24 g/mol. Its IUPAC name is diphenyl-bis[(E)-3-triphenylsilylprop-2-enyl]silane.

Molecular Properties

Compound Namediphenyl-bis[(E)-3-triphenylsilylprop-2-enyl]silane
PubChem CID15467024
Molecular FormulaC54H48Si3
Molecular Weight781.24 g/mol
Exact Mass780.31
IUPAC Namediphenyl-bis[(E)-3-triphenylsilylprop-2-enyl]silane
SMILESC(=C/[Si](c1ccccc1)(c1ccccc1)c1ccccc1)\C[Si](C/C=C/[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C54H48Si3/c1-9-27-47(28-10-1)55(48-29-11-2-12-30-48,43-25-45-56(49-31-13-3-14-32-49,50-33-15-4-16-34-50)51-35-17-5-18-36-51)44-26-46-57(52-37-19-6-20-38-52,53-39-21-7-22-40-53)54-41-23-8-24-42-54/h1-42,45-46H,43-44H2/b45-25+,46-26+
InChIKeyHUBSZGNAUPRNPL-HMFMVHCKSA-N
XLogP7.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.24
LogP ≤ 57.78
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

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CID 68347
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CID 16682926
1,1',1'',1'''-Silanetetrayltetrakis(benzene)
CID 66104
Hexaphenylcyclotrisiloxane
CID 68187
Octaphenylcyclotetrasilane
CID 70595
Hexaphenyldisilane
CID 74059
Vinyltriphenylsilane
CID 87747
Hexaphenyldigermoxane
CID 16682820
2,4,6,8-Tetramethyl-2,4,6,8-tetraphenylcyclotetrasiloxane
CID 6487

Frequently Asked Questions

What is the IUPAC name of diphenyl-bis[(E)-3-triphenylsilylprop-2-enyl]silane?
The IUPAC name of diphenyl-bis[(E)-3-triphenylsilylprop-2-enyl]silane (CID 15467024) is diphenyl-bis[(E)-3-triphenylsilylprop-2-enyl]silane.
What is the SMILES notation for diphenyl-bis[(E)-3-triphenylsilylprop-2-enyl]silane?
The canonical SMILES for diphenyl-bis[(E)-3-triphenylsilylprop-2-enyl]silane is C(=C/[Si](c1ccccc1)(c1ccccc1)c1ccccc1)\C[Si](C/C=C/[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl-bis[(E)-3-triphenylsilylprop-2-enyl]silane?
The InChIKey is HUBSZGNAUPRNPL-HMFMVHCKSA-N. The full InChI is InChI=1S/C54H48Si3/c1-9-27-47(28-10-1)55(48-29-11-2-12-30-48,43-25-45-56(49-31-13-3-14-32-49,50-33-15-4-16-34-50)51-35-17-5-18-36-51)44-26-46-57(52-37-19-6-20-38-52,53-39-21-7-22-40-53)54-41-23-8-24-42-54/h1-42,45-46H,43-44H2/b45-25+,46-26+.
What are the key properties of diphenyl-bis[(E)-3-triphenylsilylprop-2-enyl]silane?
diphenyl-bis[(E)-3-triphenylsilylprop-2-enyl]silane has a molecular weight of 781.24 g/mol, XLogP of 7.78, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-bis[(E)-3-triphenylsilylprop-2-enyl]silane is sourced from PubChem (CID 15467024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).