hexachloroantimony(1-);tris(4-bromophenyl)azanium

C18H13Br3Cl6NSb — CID 16699328

IUPAChexachloroantimony(1-);tris(4-bromophenyl)azanium
SMILESBrc1ccc([NH+](c2ccc(Br)cc2)c2ccc(Br)cc2)cc1.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl
InChIInChI=1S/C18H12Br3N.6ClH.Sb/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;;;;;;;/h1-12H;6*1H;/q;;;;;;;+5/p-5
InChIKeyBHLIYPVGDLIKBB-UHFFFAOYSA-I
MW817.50 g/mol
LogP9.91
Rot. Bonds3

About hexachloroantimony(1-);tris(4-bromophenyl)azanium

hexachloroantimony(1-);tris(4-bromophenyl)azanium (PubChem CID 16699328) has the molecular formula C18H13Br3Cl6NSb and a molecular weight of 817.50 g/mol. Its IUPAC name is hexachloroantimony(1-);tris(4-bromophenyl)azanium.

Molecular Properties

Compound Namehexachloroantimony(1-);tris(4-bromophenyl)azanium
PubChem CID16699328
Molecular FormulaC18H13Br3Cl6NSb
Molecular Weight817.50 g/mol
Exact Mass810.58
IUPAC Namehexachloroantimony(1-);tris(4-bromophenyl)azanium
SMILESBrc1ccc([NH+](c2ccc(Br)cc2)c2ccc(Br)cc2)cc1.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl
InChIInChI=1S/C18H12Br3N.6ClH.Sb/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;;;;;;;/h1-12H;6*1H;/q;;;;;;;+5/p-5
InChIKeyBHLIYPVGDLIKBB-UHFFFAOYSA-I
XLogP9.91
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.50
LogP ≤ 59.91
H-Bond Donors ≤ 51
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 hexachloroantimony(1-);tris(4-bromophenyl)azanium?
The IUPAC name of hexachloroantimony(1-);tris(4-bromophenyl)azanium (CID 16699328) is hexachloroantimony(1-);tris(4-bromophenyl)azanium.
What is the SMILES notation for hexachloroantimony(1-);tris(4-bromophenyl)azanium?
The canonical SMILES for hexachloroantimony(1-);tris(4-bromophenyl)azanium is Brc1ccc([NH+](c2ccc(Br)cc2)c2ccc(Br)cc2)cc1.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl.
What is the InChIKey of hexachloroantimony(1-);tris(4-bromophenyl)azanium?
The InChIKey is BHLIYPVGDLIKBB-UHFFFAOYSA-I. The full InChI is InChI=1S/C18H12Br3N.6ClH.Sb/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;;;;;;;/h1-12H;6*1H;/q;;;;;;;+5/p-5.
What are the key properties of hexachloroantimony(1-);tris(4-bromophenyl)azanium?
hexachloroantimony(1-);tris(4-bromophenyl)azanium has a molecular weight of 817.50 g/mol, XLogP of 9.91, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexachloroantimony(1-);tris(4-bromophenyl)azanium is sourced from PubChem (CID 16699328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).