tris(4-bromophenyl)stibane

C18H12Br3Sb — CID 4658499

IUPACtris(4-bromophenyl)stibane
SMILESBrc1ccc([Sb](c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/3C6H4Br.Sb/c3*7-6-4-2-1-3-5-6;/h3*2-5H;
InChIKeyYRDIUZJKJGHAKD-UHFFFAOYSA-N
MW589.77 g/mol
LogP4.49
Rot. Bonds3

About tris(4-bromophenyl)stibane

tris(4-bromophenyl)stibane (PubChem CID 4658499) has the molecular formula C18H12Br3Sb and a molecular weight of 589.77 g/mol. Its IUPAC name is tris(4-bromophenyl)stibane.

Molecular Properties

Compound Nametris(4-bromophenyl)stibane
PubChem CID4658499
Molecular FormulaC18H12Br3Sb
Molecular Weight589.77 g/mol
Exact Mass585.75
IUPAC Nametris(4-bromophenyl)stibane
SMILESBrc1ccc([Sb](c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/3C6H4Br.Sb/c3*7-6-4-2-1-3-5-6;/h3*2-5H;
InChIKeyYRDIUZJKJGHAKD-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.77
LogP ≤ 54.49
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)stibane?
The IUPAC name of tris(4-bromophenyl)stibane (CID 4658499) is tris(4-bromophenyl)stibane.
What is the SMILES notation for tris(4-bromophenyl)stibane?
The canonical SMILES for tris(4-bromophenyl)stibane is Brc1ccc([Sb](c2ccc(Br)cc2)c2ccc(Br)cc2)cc1.
What is the InChIKey of tris(4-bromophenyl)stibane?
The InChIKey is YRDIUZJKJGHAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H4Br.Sb/c3*7-6-4-2-1-3-5-6;/h3*2-5H;.
What are the key properties of tris(4-bromophenyl)stibane?
tris(4-bromophenyl)stibane has a molecular weight of 589.77 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-bromophenyl)stibane is sourced from PubChem (CID 4658499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).