1,3,5-triiodo-2-methylbenzene-4,6-diide;tungsten

C7H3I3W2-2 — CID 155766256

IUPAC1,3,5-triiodo-2-methylbenzene-4,6-diide;tungsten
SMILESCc1c(I)[c-]c(I)[c-]c1I.[W].[W]
InChIInChI=1S/C7H3I3.2W/c1-4-6(9)2-5(8)3-7(4)10;;/h1H3;;/q-2;;
InChIKeyAWYMLHTXCZIODV-UHFFFAOYSA-N
MW835.49 g/mol
LogP3.40
Rot. Bonds

About 1,3,5-triiodo-2-methylbenzene-4,6-diide;tungsten

1,3,5-triiodo-2-methylbenzene-4,6-diide;tungsten (PubChem CID 155766256) has the molecular formula C7H3I3W2-2 and a molecular weight of 835.49 g/mol. Its IUPAC name is 1,3,5-triiodo-2-methylbenzene-4,6-diide;tungsten.

Molecular Properties

Compound Name1,3,5-triiodo-2-methylbenzene-4,6-diide;tungsten
PubChem CID155766256
Molecular FormulaC7H3I3W2-2
Molecular Weight835.49 g/mol
Exact Mass835.64
IUPAC Name1,3,5-triiodo-2-methylbenzene-4,6-diide;tungsten
SMILESCc1c(I)[c-]c(I)[c-]c1I.[W].[W]
InChIInChI=1S/C7H3I3.2W/c1-4-6(9)2-5(8)3-7(4)10;;/h1H3;;/q-2;;
InChIKeyAWYMLHTXCZIODV-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500835.49
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triiodo-2-methylbenzene-4,6-diide;tungsten?
The IUPAC name of 1,3,5-triiodo-2-methylbenzene-4,6-diide;tungsten (CID 155766256) is 1,3,5-triiodo-2-methylbenzene-4,6-diide;tungsten.
What is the SMILES notation for 1,3,5-triiodo-2-methylbenzene-4,6-diide;tungsten?
The canonical SMILES for 1,3,5-triiodo-2-methylbenzene-4,6-diide;tungsten is Cc1c(I)[c-]c(I)[c-]c1I.[W].[W].
What is the InChIKey of 1,3,5-triiodo-2-methylbenzene-4,6-diide;tungsten?
The InChIKey is AWYMLHTXCZIODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3I3.2W/c1-4-6(9)2-5(8)3-7(4)10;;/h1H3;;/q-2;;.
What are the key properties of 1,3,5-triiodo-2-methylbenzene-4,6-diide;tungsten?
1,3,5-triiodo-2-methylbenzene-4,6-diide;tungsten has a molecular weight of 835.49 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triiodo-2-methylbenzene-4,6-diide;tungsten is sourced from PubChem (CID 155766256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).