tribismuth;benzeneselenolate;bromide

C48H40Bi3BrSe8 — CID 139153739

IUPACtribismuth;benzeneselenolate;bromide
SMILES[Bi+3].[Bi+3].[Bi+3].[Br-].[Se-]c1ccccc1.[Se-]c1ccccc1.[Se-]c1ccccc1.[Se-]c1ccccc1.[Se-]c1ccccc1.[Se-]c1ccccc1.[Se-]c1ccccc1.[Se-]c1ccccc1
InChIInChI=1S/8C6H6Se.3Bi.BrH/c8*7-6-4-2-1-3-5-6;;;;/h8*1-5,7H;;;;1H/q;;;;;;;;3*+3;/p-9
InChIKeyWFQLJNSZHUJPFL-UHFFFAOYSA-E
MW1955.37 g/mol
LogP-0.30
Rot. Bonds

About tribismuth;benzeneselenolate;bromide

tribismuth;benzeneselenolate;bromide (PubChem CID 139153739) has the molecular formula C48H40Bi3BrSe8 and a molecular weight of 1955.37 g/mol. Its IUPAC name is tribismuth;benzeneselenolate;bromide.

Molecular Properties

Compound Nametribismuth;benzeneselenolate;bromide
PubChem CID139153739
Molecular FormulaC48H40Bi3BrSe8
Molecular Weight1955.37 g/mol
Exact Mass1961.50
IUPAC Nametribismuth;benzeneselenolate;bromide
SMILES[Bi+3].[Bi+3].[Bi+3].[Br-].[Se-]c1ccccc1.[Se-]c1ccccc1.[Se-]c1ccccc1.[Se-]c1ccccc1.[Se-]c1ccccc1.[Se-]c1ccccc1.[Se-]c1ccccc1.[Se-]c1ccccc1
InChIInChI=1S/8C6H6Se.3Bi.BrH/c8*7-6-4-2-1-3-5-6;;;;/h8*1-5,7H;;;;1H/q;;;;;;;;3*+3;/p-9
InChIKeyWFQLJNSZHUJPFL-UHFFFAOYSA-E
XLogP-0.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001955.37
LogP ≤ 5-0.30
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 tribismuth;benzeneselenolate;bromide?
The IUPAC name of tribismuth;benzeneselenolate;bromide (CID 139153739) is tribismuth;benzeneselenolate;bromide.
What is the SMILES notation for tribismuth;benzeneselenolate;bromide?
The canonical SMILES for tribismuth;benzeneselenolate;bromide is [Bi+3].[Bi+3].[Bi+3].[Br-].[Se-]c1ccccc1.[Se-]c1ccccc1.[Se-]c1ccccc1.[Se-]c1ccccc1.[Se-]c1ccccc1.[Se-]c1ccccc1.[Se-]c1ccccc1.[Se-]c1ccccc1.
What is the InChIKey of tribismuth;benzeneselenolate;bromide?
The InChIKey is WFQLJNSZHUJPFL-UHFFFAOYSA-E. The full InChI is InChI=1S/8C6H6Se.3Bi.BrH/c8*7-6-4-2-1-3-5-6;;;;/h8*1-5,7H;;;;1H/q;;;;;;;;3*+3;/p-9.
What are the key properties of tribismuth;benzeneselenolate;bromide?
tribismuth;benzeneselenolate;bromide has a molecular weight of 1955.37 g/mol, XLogP of -0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tribismuth;benzeneselenolate;bromide is sourced from PubChem (CID 139153739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).