[(E)-1,3-bis(triphenylsilyl)prop-2-enyl]-triphenylsilane

C57H48Si3 — CID 6156392

IUPAC[(E)-1,3-bis(triphenylsilyl)prop-2-enyl]-triphenylsilane
SMILESC(=C/[Si](c1ccccc1)(c1ccccc1)c1ccccc1)\C([Si](c1ccccc1)(c1ccccc1)c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C57H48Si3/c1-10-28-48(29-11-1)58(49-30-12-2-13-31-49,50-32-14-3-15-33-50)47-46-57(59(51-34-16-4-17-35-51,52-36-18-5-19-37-52)53-38-20-6-21-39-53)60(54-40-22-7-23-41-54,55-42-24-8-25-43-55)56-44-26-9-27-45-56/h1-47,57H/b47-46+
InChIKeyGOFFODGDAAMMBY-CPHIHMHPSA-N
MW817.27 g/mol
LogP7.50
Rot. Bonds13

About [(E)-1,3-bis(triphenylsilyl)prop-2-enyl]-triphenylsilane

[(E)-1,3-bis(triphenylsilyl)prop-2-enyl]-triphenylsilane (PubChem CID 6156392) has the molecular formula C57H48Si3 and a molecular weight of 817.27 g/mol. Its IUPAC name is [(E)-1,3-bis(triphenylsilyl)prop-2-enyl]-triphenylsilane.

Molecular Properties

Compound Name[(E)-1,3-bis(triphenylsilyl)prop-2-enyl]-triphenylsilane
PubChem CID6156392
Molecular FormulaC57H48Si3
Molecular Weight817.27 g/mol
Exact Mass816.31
IUPAC Name[(E)-1,3-bis(triphenylsilyl)prop-2-enyl]-triphenylsilane
SMILESC(=C/[Si](c1ccccc1)(c1ccccc1)c1ccccc1)\C([Si](c1ccccc1)(c1ccccc1)c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C57H48Si3/c1-10-28-48(29-11-1)58(49-30-12-2-13-31-49,50-32-14-3-15-33-50)47-46-57(59(51-34-16-4-17-35-51,52-36-18-5-19-37-52)53-38-20-6-21-39-53)60(54-40-22-7-23-41-54,55-42-24-8-25-43-55)56-44-26-9-27-45-56/h1-47,57H/b47-46+
InChIKeyGOFFODGDAAMMBY-CPHIHMHPSA-N
XLogP7.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.27
LogP ≤ 57.50
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'}

Analyze [(E)-1,3-bis(triphenylsilyl)prop-2-enyl]-triphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-1,3-bis(triphenylsilyl)prop-2-enyl]-triphenylsilane?
The IUPAC name of [(E)-1,3-bis(triphenylsilyl)prop-2-enyl]-triphenylsilane (CID 6156392) is [(E)-1,3-bis(triphenylsilyl)prop-2-enyl]-triphenylsilane.
What is the SMILES notation for [(E)-1,3-bis(triphenylsilyl)prop-2-enyl]-triphenylsilane?
The canonical SMILES for [(E)-1,3-bis(triphenylsilyl)prop-2-enyl]-triphenylsilane is C(=C/[Si](c1ccccc1)(c1ccccc1)c1ccccc1)\C([Si](c1ccccc1)(c1ccccc1)c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-1,3-bis(triphenylsilyl)prop-2-enyl]-triphenylsilane?
The InChIKey is GOFFODGDAAMMBY-CPHIHMHPSA-N. The full InChI is InChI=1S/C57H48Si3/c1-10-28-48(29-11-1)58(49-30-12-2-13-31-49,50-32-14-3-15-33-50)47-46-57(59(51-34-16-4-17-35-51,52-36-18-5-19-37-52)53-38-20-6-21-39-53)60(54-40-22-7-23-41-54,55-42-24-8-25-43-55)56-44-26-9-27-45-56/h1-47,57H/b47-46+.
What are the key properties of [(E)-1,3-bis(triphenylsilyl)prop-2-enyl]-triphenylsilane?
[(E)-1,3-bis(triphenylsilyl)prop-2-enyl]-triphenylsilane has a molecular weight of 817.27 g/mol, XLogP of 7.50, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,3-bis(triphenylsilyl)prop-2-enyl]-triphenylsilane is sourced from PubChem (CID 6156392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).