bis(2,4-dibromophenyl)iodanium iodide

C12H6Br4I2 — CID 10908726

IUPACbis(2,4-dibromophenyl)iodanium iodide
SMILESBrc1ccc([I+]c2ccc(Br)cc2Br)c(Br)c1.[I-]
InChIInChI=1S/C12H6Br4I.HI/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;/h1-6H;1H/q+1;/p-1
InChIKeyAPAFUUUEPDSNSX-UHFFFAOYSA-M
MW723.60 g/mol
LogP-0.13
Rot. Bonds2

About bis(2,4-dibromophenyl)iodanium iodide

bis(2,4-dibromophenyl)iodanium iodide (PubChem CID 10908726) has the molecular formula C12H6Br4I2 and a molecular weight of 723.60 g/mol. Its IUPAC name is bis(2,4-dibromophenyl)iodanium iodide.

Molecular Properties

Compound Namebis(2,4-dibromophenyl)iodanium iodide
PubChem CID10908726
Molecular FormulaC12H6Br4I2
Molecular Weight723.60 g/mol
Exact Mass719.53
IUPAC Namebis(2,4-dibromophenyl)iodanium iodide
SMILESBrc1ccc([I+]c2ccc(Br)cc2Br)c(Br)c1.[I-]
InChIInChI=1S/C12H6Br4I.HI/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;/h1-6H;1H/q+1;/p-1
InChIKeyAPAFUUUEPDSNSX-UHFFFAOYSA-M
XLogP-0.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500723.60
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2,4-dibromophenyl)iodanium iodide?
The IUPAC name of bis(2,4-dibromophenyl)iodanium iodide (CID 10908726) is bis(2,4-dibromophenyl)iodanium iodide.
What is the SMILES notation for bis(2,4-dibromophenyl)iodanium iodide?
The canonical SMILES for bis(2,4-dibromophenyl)iodanium iodide is Brc1ccc([I+]c2ccc(Br)cc2Br)c(Br)c1.[I-].
What is the InChIKey of bis(2,4-dibromophenyl)iodanium iodide?
The InChIKey is APAFUUUEPDSNSX-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H6Br4I.HI/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;/h1-6H;1H/q+1;/p-1.
What are the key properties of bis(2,4-dibromophenyl)iodanium iodide?
bis(2,4-dibromophenyl)iodanium iodide has a molecular weight of 723.60 g/mol, XLogP of -0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dibromophenyl)iodanium iodide is sourced from PubChem (CID 10908726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).