2-(2,3,4,5-tetraphenyl-1-thiophen-2-ylsilol-1-yl)thiophene

C36H26S2Si — CID 11988817

IUPAC2-(2,3,4,5-tetraphenyl-1-thiophen-2-ylsilol-1-yl)thiophene
SMILESc1ccc(C2=C(c3ccccc3)[Si](c3cccs3)(c3cccs3)C(c3ccccc3)=C2c2ccccc2)cc1
InChIInChI=1S/C36H26S2Si/c1-5-15-27(16-6-1)33-34(28-17-7-2-8-18-28)36(30-21-11-4-12-22-30)39(31-23-13-25-37-31,32-24-14-26-38-32)35(33)29-19-9-3-10-20-29/h1-26H
InChIKeyQQTWVKARHXMTSU-UHFFFAOYSA-N
MW550.82 g/mol
LogP8.69
Rot. Bonds6

About 2-(2,3,4,5-tetraphenyl-1-thiophen-2-ylsilol-1-yl)thiophene

2-(2,3,4,5-tetraphenyl-1-thiophen-2-ylsilol-1-yl)thiophene (PubChem CID 11988817) has the molecular formula C36H26S2Si and a molecular weight of 550.82 g/mol. Its IUPAC name is 2-(2,3,4,5-tetraphenyl-1-thiophen-2-ylsilol-1-yl)thiophene.

Molecular Properties

Compound Name2-(2,3,4,5-tetraphenyl-1-thiophen-2-ylsilol-1-yl)thiophene
PubChem CID11988817
Molecular FormulaC36H26S2Si
Molecular Weight550.82 g/mol
Exact Mass550.12
IUPAC Name2-(2,3,4,5-tetraphenyl-1-thiophen-2-ylsilol-1-yl)thiophene
SMILESc1ccc(C2=C(c3ccccc3)[Si](c3cccs3)(c3cccs3)C(c3ccccc3)=C2c2ccccc2)cc1
InChIInChI=1S/C36H26S2Si/c1-5-15-27(16-6-1)33-34(28-17-7-2-8-18-28)36(30-21-11-4-12-22-30)39(31-23-13-25-37-31,32-24-14-26-38-32)35(33)29-19-9-3-10-20-29/h1-26H
InChIKeyQQTWVKARHXMTSU-UHFFFAOYSA-N
XLogP8.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.82
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5-tetraphenyl-1-thiophen-2-ylsilol-1-yl)thiophene?
The IUPAC name of 2-(2,3,4,5-tetraphenyl-1-thiophen-2-ylsilol-1-yl)thiophene (CID 11988817) is 2-(2,3,4,5-tetraphenyl-1-thiophen-2-ylsilol-1-yl)thiophene.
What is the SMILES notation for 2-(2,3,4,5-tetraphenyl-1-thiophen-2-ylsilol-1-yl)thiophene?
The canonical SMILES for 2-(2,3,4,5-tetraphenyl-1-thiophen-2-ylsilol-1-yl)thiophene is c1ccc(C2=C(c3ccccc3)[Si](c3cccs3)(c3cccs3)C(c3ccccc3)=C2c2ccccc2)cc1.
What is the InChIKey of 2-(2,3,4,5-tetraphenyl-1-thiophen-2-ylsilol-1-yl)thiophene?
The InChIKey is QQTWVKARHXMTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26S2Si/c1-5-15-27(16-6-1)33-34(28-17-7-2-8-18-28)36(30-21-11-4-12-22-30)39(31-23-13-25-37-31,32-24-14-26-38-32)35(33)29-19-9-3-10-20-29/h1-26H.
What are the key properties of 2-(2,3,4,5-tetraphenyl-1-thiophen-2-ylsilol-1-yl)thiophene?
2-(2,3,4,5-tetraphenyl-1-thiophen-2-ylsilol-1-yl)thiophene has a molecular weight of 550.82 g/mol, XLogP of 8.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5-tetraphenyl-1-thiophen-2-ylsilol-1-yl)thiophene is sourced from PubChem (CID 11988817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).