triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane

C44H36SSi2 — CID 59955085

IUPACtriphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane
SMILESC(=C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(C=C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C44H36SSi2/c1-7-19-39(20-8-1)46(40-21-9-2-10-22-40,41-23-11-3-12-24-41)35-33-37-31-32-38(45-37)34-36-47(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44/h1-36H
InChIKeyFAHHRZNXRCZVHK-UHFFFAOYSA-N
MW653.01 g/mol
LogP7.19
Rot. Bonds10

About triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane

triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane (PubChem CID 59955085) has the molecular formula C44H36SSi2 and a molecular weight of 653.01 g/mol. Its IUPAC name is triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane.

Molecular Properties

Compound Nametriphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane
PubChem CID59955085
Molecular FormulaC44H36SSi2
Molecular Weight653.01 g/mol
Exact Mass652.21
IUPAC Nametriphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane
SMILESC(=C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(C=C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C44H36SSi2/c1-7-19-39(20-8-1)46(40-21-9-2-10-22-40,41-23-11-3-12-24-41)35-33-37-31-32-38(45-37)34-36-47(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44/h1-36H
InChIKeyFAHHRZNXRCZVHK-UHFFFAOYSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms47
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.01
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane?
The IUPAC name of triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane (CID 59955085) is triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane.
What is the SMILES notation for triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane?
The canonical SMILES for triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane is C(=C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(C=C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)s1.
What is the InChIKey of triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane?
The InChIKey is FAHHRZNXRCZVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36SSi2/c1-7-19-39(20-8-1)46(40-21-9-2-10-22-40,41-23-11-3-12-24-41)35-33-37-31-32-38(45-37)34-36-47(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44/h1-36H.
What are the key properties of triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane?
triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane has a molecular weight of 653.01 g/mol, XLogP of 7.19, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane is sourced from PubChem (CID 59955085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).