(3,3-diphenyl-1-thiophen-3-ylpropa-1,2-dienyl)-trimethylsilane

C22H22SSi — CID 164685339

IUPAC(3,3-diphenyl-1-thiophen-3-ylpropa-1,2-dienyl)-trimethylsilane
SMILESC[Si](C)(C)C(=C=C(c1ccccc1)c1ccccc1)c1ccsc1
InChIInChI=1S/C22H22SSi/c1-24(2,3)22(20-14-15-23-17-20)16-21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-15,17H,1-3H3
InChIKeyRMQCEYOUPYXNGR-UHFFFAOYSA-N
MW346.57 g/mol
LogP6.74
Rot. Bonds4

About (3,3-diphenyl-1-thiophen-3-ylpropa-1,2-dienyl)-trimethylsilane

(3,3-diphenyl-1-thiophen-3-ylpropa-1,2-dienyl)-trimethylsilane (PubChem CID 164685339) has the molecular formula C22H22SSi and a molecular weight of 346.57 g/mol. Its IUPAC name is (3,3-diphenyl-1-thiophen-3-ylpropa-1,2-dienyl)-trimethylsilane.

Molecular Properties

Compound Name(3,3-diphenyl-1-thiophen-3-ylpropa-1,2-dienyl)-trimethylsilane
PubChem CID164685339
Molecular FormulaC22H22SSi
Molecular Weight346.57 g/mol
Exact Mass346.12
IUPAC Name(3,3-diphenyl-1-thiophen-3-ylpropa-1,2-dienyl)-trimethylsilane
SMILESC[Si](C)(C)C(=C=C(c1ccccc1)c1ccccc1)c1ccsc1
InChIInChI=1S/C22H22SSi/c1-24(2,3)22(20-14-15-23-17-20)16-21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-15,17H,1-3H3
InChIKeyRMQCEYOUPYXNGR-UHFFFAOYSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.57
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,3-diphenyl-1-thiophen-3-ylpropa-1,2-dienyl)-trimethylsilane?
The IUPAC name of (3,3-diphenyl-1-thiophen-3-ylpropa-1,2-dienyl)-trimethylsilane (CID 164685339) is (3,3-diphenyl-1-thiophen-3-ylpropa-1,2-dienyl)-trimethylsilane.
What is the SMILES notation for (3,3-diphenyl-1-thiophen-3-ylpropa-1,2-dienyl)-trimethylsilane?
The canonical SMILES for (3,3-diphenyl-1-thiophen-3-ylpropa-1,2-dienyl)-trimethylsilane is C[Si](C)(C)C(=C=C(c1ccccc1)c1ccccc1)c1ccsc1.
What is the InChIKey of (3,3-diphenyl-1-thiophen-3-ylpropa-1,2-dienyl)-trimethylsilane?
The InChIKey is RMQCEYOUPYXNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22SSi/c1-24(2,3)22(20-14-15-23-17-20)16-21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-15,17H,1-3H3.
What are the key properties of (3,3-diphenyl-1-thiophen-3-ylpropa-1,2-dienyl)-trimethylsilane?
(3,3-diphenyl-1-thiophen-3-ylpropa-1,2-dienyl)-trimethylsilane has a molecular weight of 346.57 g/mol, XLogP of 6.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diphenyl-1-thiophen-3-ylpropa-1,2-dienyl)-trimethylsilane is sourced from PubChem (CID 164685339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).