2-(2,6-diiodophenyl)-1,3-diiodobenzene

C12H6I4 — CID 91384938

IUPAC2-(2,6-diiodophenyl)-1,3-diiodobenzene
SMILESIc1cccc(I)c1-c1c(I)cccc1I
InChIInChI=1S/C12H6I4/c13-7-3-1-4-8(14)11(7)12-9(15)5-2-6-10(12)16/h1-6H
InChIKeyRGDLYUXIBRECJJ-UHFFFAOYSA-N
MW657.80 g/mol
LogP5.77
Rot. Bonds1

About 2-(2,6-diiodophenyl)-1,3-diiodobenzene

2-(2,6-diiodophenyl)-1,3-diiodobenzene (PubChem CID 91384938) has the molecular formula C12H6I4 and a molecular weight of 657.80 g/mol. Its IUPAC name is 2-(2,6-diiodophenyl)-1,3-diiodobenzene.

Molecular Properties

Compound Name2-(2,6-diiodophenyl)-1,3-diiodobenzene
PubChem CID91384938
Molecular FormulaC12H6I4
Molecular Weight657.80 g/mol
Exact Mass657.66
IUPAC Name2-(2,6-diiodophenyl)-1,3-diiodobenzene
SMILESIc1cccc(I)c1-c1c(I)cccc1I
InChIInChI=1S/C12H6I4/c13-7-3-1-4-8(14)11(7)12-9(15)5-2-6-10(12)16/h1-6H
InChIKeyRGDLYUXIBRECJJ-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.80
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diiodophenyl)-1,3-diiodobenzene?
The IUPAC name of 2-(2,6-diiodophenyl)-1,3-diiodobenzene (CID 91384938) is 2-(2,6-diiodophenyl)-1,3-diiodobenzene.
What is the SMILES notation for 2-(2,6-diiodophenyl)-1,3-diiodobenzene?
The canonical SMILES for 2-(2,6-diiodophenyl)-1,3-diiodobenzene is Ic1cccc(I)c1-c1c(I)cccc1I.
What is the InChIKey of 2-(2,6-diiodophenyl)-1,3-diiodobenzene?
The InChIKey is RGDLYUXIBRECJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6I4/c13-7-3-1-4-8(14)11(7)12-9(15)5-2-6-10(12)16/h1-6H.
What are the key properties of 2-(2,6-diiodophenyl)-1,3-diiodobenzene?
2-(2,6-diiodophenyl)-1,3-diiodobenzene has a molecular weight of 657.80 g/mol, XLogP of 5.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diiodophenyl)-1,3-diiodobenzene is sourced from PubChem (CID 91384938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).