bis(4-methylphenyl)iodanium

C28H28I2+2 — CID 158665540

IUPACbis(4-methylphenyl)iodanium
SMILESCc1ccc([I+]c2ccc(C)cc2)cc1.Cc1ccc([I+]c2ccc(C)cc2)cc1
InChIInChI=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
InChIKeyIDHNBYNSASVOEK-UHFFFAOYSA-N
MW618.34 g/mol
LogP0.86
Rot. Bonds4

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 Namebis(4-methylphenyl)iodanium
PubChem CID158665540
Molecular FormulaC28H28I2+2
Molecular Weight618.34 g/mol
Exact Mass618.03
IUPAC Namebis(4-methylphenyl)iodanium
SMILESCc1ccc([I+]c2ccc(C)cc2)cc1.Cc1ccc([I+]c2ccc(C)cc2)cc1
InChIInChI=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
InChIKeyIDHNBYNSASVOEK-UHFFFAOYSA-N
XLogP0.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.34
LogP ≤ 50.86
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 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).