bis(2,3,5-tribromophenyl)iodanium

C12H4Br6I+ — CID 102035217

IUPACbis(2,3,5-tribromophenyl)iodanium
SMILESBrc1cc(Br)c(Br)c([I+]c2cc(Br)cc(Br)c2Br)c1
InChIInChI=1S/C12H4Br6I/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4H/q+1
InChIKeyCTEIOFFZMRFTQQ-UHFFFAOYSA-N
MW754.49 g/mol
LogP4.39
Rot. Bonds2

About bis(2,3,5-tribromophenyl)iodanium

bis(2,3,5-tribromophenyl)iodanium (PubChem CID 102035217) has the molecular formula C12H4Br6I+ and a molecular weight of 754.49 g/mol. Its IUPAC name is bis(2,3,5-tribromophenyl)iodanium.

Molecular Properties

Compound Namebis(2,3,5-tribromophenyl)iodanium
PubChem CID102035217
Molecular FormulaC12H4Br6I+
Molecular Weight754.49 g/mol
Exact Mass748.45
IUPAC Namebis(2,3,5-tribromophenyl)iodanium
SMILESBrc1cc(Br)c(Br)c([I+]c2cc(Br)cc(Br)c2Br)c1
InChIInChI=1S/C12H4Br6I/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4H/q+1
InChIKeyCTEIOFFZMRFTQQ-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500754.49
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2,3,5-tribromophenyl)iodanium?
The IUPAC name of bis(2,3,5-tribromophenyl)iodanium (CID 102035217) is bis(2,3,5-tribromophenyl)iodanium.
What is the SMILES notation for bis(2,3,5-tribromophenyl)iodanium?
The canonical SMILES for bis(2,3,5-tribromophenyl)iodanium is Brc1cc(Br)c(Br)c([I+]c2cc(Br)cc(Br)c2Br)c1.
What is the InChIKey of bis(2,3,5-tribromophenyl)iodanium?
The InChIKey is CTEIOFFZMRFTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Br6I/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4H/q+1.
What are the key properties of bis(2,3,5-tribromophenyl)iodanium?
bis(2,3,5-tribromophenyl)iodanium has a molecular weight of 754.49 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,5-tribromophenyl)iodanium is sourced from PubChem (CID 102035217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).