2-(2,3-diphenylcyclopropyl)ethynyl-trimethylsilane;hexachloroantimony(1-)

C20H21Cl6SbSi — CID 134977418

IUPAC2-(2,3-diphenylcyclopropyl)ethynyl-trimethylsilane;hexachloroantimony(1-)
SMILESC[Si](C)(C)C#CC1[C+](c2ccccc2)C1c1ccccc1.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl
InChIInChI=1S/C20H21Si.6ClH.Sb/c1-21(2,3)15-14-18-19(16-10-6-4-7-11-16)20(18)17-12-8-5-9-13-17;;;;;;;/h4-13,18-19H,1-3H3;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyPNNGHJSNGMGCCF-UHFFFAOYSA-H
MW623.95 g/mol
LogP8.66
Rot. Bonds2

About 2-(2,3-diphenylcyclopropyl)ethynyl-trimethylsilane;hexachloroantimony(1-)

2-(2,3-diphenylcyclopropyl)ethynyl-trimethylsilane;hexachloroantimony(1-) (PubChem CID 134977418) has the molecular formula C20H21Cl6SbSi and a molecular weight of 623.95 g/mol. Its IUPAC name is 2-(2,3-diphenylcyclopropyl)ethynyl-trimethylsilane;hexachloroantimony(1-).

Molecular Properties

Compound Name2-(2,3-diphenylcyclopropyl)ethynyl-trimethylsilane;hexachloroantimony(1-)
PubChem CID134977418
Molecular FormulaC20H21Cl6SbSi
Molecular Weight623.95 g/mol
Exact Mass619.86
IUPAC Name2-(2,3-diphenylcyclopropyl)ethynyl-trimethylsilane;hexachloroantimony(1-)
SMILESC[Si](C)(C)C#CC1[C+](c2ccccc2)C1c1ccccc1.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl
InChIInChI=1S/C20H21Si.6ClH.Sb/c1-21(2,3)15-14-18-19(16-10-6-4-7-11-16)20(18)17-12-8-5-9-13-17;;;;;;;/h4-13,18-19H,1-3H3;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyPNNGHJSNGMGCCF-UHFFFAOYSA-H
XLogP8.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.95
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(2,3-diphenylcyclopropyl)ethynyl-trimethylsilane;hexachloroantimony(1-) 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 2-(2,3-diphenylcyclopropyl)ethynyl-trimethylsilane;hexachloroantimony(1-)?
The IUPAC name of 2-(2,3-diphenylcyclopropyl)ethynyl-trimethylsilane;hexachloroantimony(1-) (CID 134977418) is 2-(2,3-diphenylcyclopropyl)ethynyl-trimethylsilane;hexachloroantimony(1-).
What is the SMILES notation for 2-(2,3-diphenylcyclopropyl)ethynyl-trimethylsilane;hexachloroantimony(1-)?
The canonical SMILES for 2-(2,3-diphenylcyclopropyl)ethynyl-trimethylsilane;hexachloroantimony(1-) is C[Si](C)(C)C#CC1[C+](c2ccccc2)C1c1ccccc1.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl.
What is the InChIKey of 2-(2,3-diphenylcyclopropyl)ethynyl-trimethylsilane;hexachloroantimony(1-)?
The InChIKey is PNNGHJSNGMGCCF-UHFFFAOYSA-H. The full InChI is InChI=1S/C20H21Si.6ClH.Sb/c1-21(2,3)15-14-18-19(16-10-6-4-7-11-16)20(18)17-12-8-5-9-13-17;;;;;;;/h4-13,18-19H,1-3H3;6*1H;/q+1;;;;;;;+5/p-6.
What are the key properties of 2-(2,3-diphenylcyclopropyl)ethynyl-trimethylsilane;hexachloroantimony(1-)?
2-(2,3-diphenylcyclopropyl)ethynyl-trimethylsilane;hexachloroantimony(1-) has a molecular weight of 623.95 g/mol, XLogP of 8.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-diphenylcyclopropyl)ethynyl-trimethylsilane;hexachloroantimony(1-) is sourced from PubChem (CID 134977418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).