tris(4-bromophenyl)-dichloro-lambda5-stibane

C18H12Br3Cl2Sb — CID 3291597

IUPACtris(4-bromophenyl)-dichloro-lambda5-stibane
SMILESCl[Sb](Cl)(c1ccc(Br)cc1)(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/3C6H4Br.2ClH.Sb/c3*7-6-4-2-1-3-5-6;;;/h3*2-5H;2*1H;/q;;;;;+2/p-2
InChIKeyZZFOKUDZWOMFOL-UHFFFAOYSA-L
MW660.67 g/mol
LogP5.87
Rot. Bonds3

About tris(4-bromophenyl)-dichloro-lambda5-stibane

tris(4-bromophenyl)-dichloro-lambda5-stibane (PubChem CID 3291597) has the molecular formula C18H12Br3Cl2Sb and a molecular weight of 660.67 g/mol. Its IUPAC name is tris(4-bromophenyl)-dichloro-lambda5-stibane.

Molecular Properties

Compound Nametris(4-bromophenyl)-dichloro-lambda5-stibane
PubChem CID3291597
Molecular FormulaC18H12Br3Cl2Sb
Molecular Weight660.67 g/mol
Exact Mass655.69
IUPAC Nametris(4-bromophenyl)-dichloro-lambda5-stibane
SMILESCl[Sb](Cl)(c1ccc(Br)cc1)(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/3C6H4Br.2ClH.Sb/c3*7-6-4-2-1-3-5-6;;;/h3*2-5H;2*1H;/q;;;;;+2/p-2
InChIKeyZZFOKUDZWOMFOL-UHFFFAOYSA-L
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.67
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 tris(4-bromophenyl)-dichloro-lambda5-stibane?
The IUPAC name of tris(4-bromophenyl)-dichloro-lambda5-stibane (CID 3291597) is tris(4-bromophenyl)-dichloro-lambda5-stibane.
What is the SMILES notation for tris(4-bromophenyl)-dichloro-lambda5-stibane?
The canonical SMILES for tris(4-bromophenyl)-dichloro-lambda5-stibane is Cl[Sb](Cl)(c1ccc(Br)cc1)(c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of tris(4-bromophenyl)-dichloro-lambda5-stibane?
The InChIKey is ZZFOKUDZWOMFOL-UHFFFAOYSA-L. The full InChI is InChI=1S/3C6H4Br.2ClH.Sb/c3*7-6-4-2-1-3-5-6;;;/h3*2-5H;2*1H;/q;;;;;+2/p-2.
What are the key properties of tris(4-bromophenyl)-dichloro-lambda5-stibane?
tris(4-bromophenyl)-dichloro-lambda5-stibane has a molecular weight of 660.67 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-bromophenyl)-dichloro-lambda5-stibane is sourced from PubChem (CID 3291597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).