hexachloroantimony(1-);2-phenyl-N-propan-2-ylacetonitrilium

C11H14Cl6NSb — CID 16705027

IUPAChexachloroantimony(1-);2-phenyl-N-propan-2-ylacetonitrilium
SMILESCC(C)[N+]#CCc1ccccc1.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl
InChIInChI=1S/C11H14N.6ClH.Sb/c1-10(2)12-9-8-11-6-4-3-5-7-11;;;;;;;/h3-7,10H,8H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyYATSMFPZZGSHLP-UHFFFAOYSA-H
MW494.72 g/mol
LogP6.73
Rot. Bonds1

About hexachloroantimony(1-);2-phenyl-N-propan-2-ylacetonitrilium

hexachloroantimony(1-);2-phenyl-N-propan-2-ylacetonitrilium (PubChem CID 16705027) has the molecular formula C11H14Cl6NSb and a molecular weight of 494.72 g/mol. Its IUPAC name is hexachloroantimony(1-);2-phenyl-N-propan-2-ylacetonitrilium.

Molecular Properties

Compound Namehexachloroantimony(1-);2-phenyl-N-propan-2-ylacetonitrilium
PubChem CID16705027
Molecular FormulaC11H14Cl6NSb
Molecular Weight494.72 g/mol
Exact Mass490.83
IUPAC Namehexachloroantimony(1-);2-phenyl-N-propan-2-ylacetonitrilium
SMILESCC(C)[N+]#CCc1ccccc1.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl
InChIInChI=1S/C11H14N.6ClH.Sb/c1-10(2)12-9-8-11-6-4-3-5-7-11;;;;;;;/h3-7,10H,8H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyYATSMFPZZGSHLP-UHFFFAOYSA-H
XLogP6.73
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.72
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 56625667

Frequently Asked Questions

What is the IUPAC name of hexachloroantimony(1-);2-phenyl-N-propan-2-ylacetonitrilium?
The IUPAC name of hexachloroantimony(1-);2-phenyl-N-propan-2-ylacetonitrilium (CID 16705027) is hexachloroantimony(1-);2-phenyl-N-propan-2-ylacetonitrilium.
What is the SMILES notation for hexachloroantimony(1-);2-phenyl-N-propan-2-ylacetonitrilium?
The canonical SMILES for hexachloroantimony(1-);2-phenyl-N-propan-2-ylacetonitrilium is CC(C)[N+]#CCc1ccccc1.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl.
What is the InChIKey of hexachloroantimony(1-);2-phenyl-N-propan-2-ylacetonitrilium?
The InChIKey is YATSMFPZZGSHLP-UHFFFAOYSA-H. The full InChI is InChI=1S/C11H14N.6ClH.Sb/c1-10(2)12-9-8-11-6-4-3-5-7-11;;;;;;;/h3-7,10H,8H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6.
What are the key properties of hexachloroantimony(1-);2-phenyl-N-propan-2-ylacetonitrilium?
hexachloroantimony(1-);2-phenyl-N-propan-2-ylacetonitrilium has a molecular weight of 494.72 g/mol, XLogP of 6.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexachloroantimony(1-);2-phenyl-N-propan-2-ylacetonitrilium is sourced from PubChem (CID 16705027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).