Bis(4-methylphenyl)iodanium

C₂₈H₂₈I₂+2 — CID 158665540

About Bis(4-methylphenyl)iodanium

Bis(4-methylphenyl)iodanium (PubChem CID 158665540) has the molecular formula C₂₈H₂₈I₂+2 and a molecular weight of 618.34 g/mol. Its IUPAC name is bis(4-methylphenyl)iodanium.

Molecular Properties

• Compound Name: Bis(4-methylphenyl)iodanium
• PubChem CID: 158665540
• Molecular Formula: C₂₈H₂₈I₂+2
• Molecular Weight: 618.34 g/mol
• Exact Mass: 618.03
• IUPAC Name: bis(4-methylphenyl)iodanium
• SMILES: Cc1ccc([I+]c2ccc(C)cc2)cc1.Cc1ccc([I+]c2ccc(C)cc2)cc1
• InChI: InChI=1S/2C14H14I/c2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h2*3-10H,1-2H3/q2*+1
• InChIKey: IDHNBYNSASVOEK-UHFFFAOYSA-N
• XLogP: 0.86
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	618.34
LogP ≤ 5	0.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Bis(4-methylphenyl)iodanium?

The IUPAC name of Bis(4-methylphenyl)iodanium (CID 158665540) is bis(4-methylphenyl)iodanium.

What is the SMILES notation for Bis(4-methylphenyl)iodanium?

The canonical SMILES for Bis(4-methylphenyl)iodanium is Cc1ccc([I+]c2ccc(C)cc2)cc1.Cc1ccc([I+]c2ccc(C)cc2)cc1.

What is the InChIKey of Bis(4-methylphenyl)iodanium?

The InChIKey is IDHNBYNSASVOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H14I/c2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h2*3-10H,1-2H3/q2*+1.

What are the key properties of Bis(4-methylphenyl)iodanium?

Bis(4-methylphenyl)iodanium has a molecular weight of 618.34 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Bis(4-methylphenyl)iodanium is sourced from PubChem (CID 158665540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158665540 — identifiers, structure, computed properties (public domain)

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