barium(2+);phosphane;diiodide;trihydroiodide

H6BaI5P — CID 172788618

IUPACbarium(2+);phosphane;diiodide;trihydroiodide
SMILESI.I.I.P.[Ba+2].[I-].[I-]
InChIInChI=1S/Ba.5HI.H3P/h;5*1H;1H3/q+2;;;;;;/p-2
InChIKeyPGELDWXQCXRDAC-UHFFFAOYSA-L
MW808.87 g/mol
LogP-4.46
Rot. Bonds

About barium(2+);phosphane;diiodide;trihydroiodide

barium(2+);phosphane;diiodide;trihydroiodide (PubChem CID 172788618) has the molecular formula H6BaI5P and a molecular weight of 808.87 g/mol. Its IUPAC name is barium(2+);phosphane;diiodide;trihydroiodide.

Molecular Properties

Compound Namebarium(2+);phosphane;diiodide;trihydroiodide
PubChem CID172788618
Molecular FormulaH6BaI5P
Molecular Weight808.87 g/mol
Exact Mass809.45
IUPAC Namebarium(2+);phosphane;diiodide;trihydroiodide
SMILESI.I.I.P.[Ba+2].[I-].[I-]
InChIInChI=1S/Ba.5HI.H3P/h;5*1H;1H3/q+2;;;;;;/p-2
InChIKeyPGELDWXQCXRDAC-UHFFFAOYSA-L
XLogP-4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500808.87
LogP ≤ 5-4.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of barium(2+);phosphane;diiodide;trihydroiodide?
The IUPAC name of barium(2+);phosphane;diiodide;trihydroiodide (CID 172788618) is barium(2+);phosphane;diiodide;trihydroiodide.
What is the SMILES notation for barium(2+);phosphane;diiodide;trihydroiodide?
The canonical SMILES for barium(2+);phosphane;diiodide;trihydroiodide is I.I.I.P.[Ba+2].[I-].[I-].
What is the InChIKey of barium(2+);phosphane;diiodide;trihydroiodide?
The InChIKey is PGELDWXQCXRDAC-UHFFFAOYSA-L. The full InChI is InChI=1S/Ba.5HI.H3P/h;5*1H;1H3/q+2;;;;;;/p-2.
What are the key properties of barium(2+);phosphane;diiodide;trihydroiodide?
barium(2+);phosphane;diiodide;trihydroiodide has a molecular weight of 808.87 g/mol, XLogP of -4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);phosphane;diiodide;trihydroiodide is sourced from PubChem (CID 172788618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).