phenyl-[2-(4-propan-2-ylphenyl)phenyl]iodanium

C21H20I+ — CID 175903400

IUPACphenyl-[2-(4-propan-2-ylphenyl)phenyl]iodanium
SMILESCC(C)c1ccc(-c2ccccc2[I+]c2ccccc2)cc1
InChIInChI=1S/C21H20I/c1-16(2)17-12-14-18(15-13-17)20-10-6-7-11-21(20)22-19-8-4-3-5-9-19/h3-16H,1-2H3/q+1
InChIKeyHMQMLJWFYAVZLD-UHFFFAOYSA-N
MW399.30 g/mol
LogP2.61
Rot. Bonds4

About phenyl-[2-(4-propan-2-ylphenyl)phenyl]iodanium

phenyl-[2-(4-propan-2-ylphenyl)phenyl]iodanium (PubChem CID 175903400) has the molecular formula C21H20I+ and a molecular weight of 399.30 g/mol. Its IUPAC name is phenyl-[2-(4-propan-2-ylphenyl)phenyl]iodanium.

Molecular Properties

Compound Namephenyl-[2-(4-propan-2-ylphenyl)phenyl]iodanium
PubChem CID175903400
Molecular FormulaC21H20I+
Molecular Weight399.30 g/mol
Exact Mass399.06
IUPAC Namephenyl-[2-(4-propan-2-ylphenyl)phenyl]iodanium
SMILESCC(C)c1ccc(-c2ccccc2[I+]c2ccccc2)cc1
InChIInChI=1S/C21H20I/c1-16(2)17-12-14-18(15-13-17)20-10-6-7-11-21(20)22-19-8-4-3-5-9-19/h3-16H,1-2H3/q+1
InChIKeyHMQMLJWFYAVZLD-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze phenyl-[2-(4-propan-2-ylphenyl)phenyl]iodanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(4-propan-2-ylphenyl)phenyl]iodanium?
The IUPAC name of phenyl-[2-(4-propan-2-ylphenyl)phenyl]iodanium (CID 175903400) is phenyl-[2-(4-propan-2-ylphenyl)phenyl]iodanium.
What is the SMILES notation for phenyl-[2-(4-propan-2-ylphenyl)phenyl]iodanium?
The canonical SMILES for phenyl-[2-(4-propan-2-ylphenyl)phenyl]iodanium is CC(C)c1ccc(-c2ccccc2[I+]c2ccccc2)cc1.
What is the InChIKey of phenyl-[2-(4-propan-2-ylphenyl)phenyl]iodanium?
The InChIKey is HMQMLJWFYAVZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20I/c1-16(2)17-12-14-18(15-13-17)20-10-6-7-11-21(20)22-19-8-4-3-5-9-19/h3-16H,1-2H3/q+1.
What are the key properties of phenyl-[2-(4-propan-2-ylphenyl)phenyl]iodanium?
phenyl-[2-(4-propan-2-ylphenyl)phenyl]iodanium has a molecular weight of 399.30 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(4-propan-2-ylphenyl)phenyl]iodanium is sourced from PubChem (CID 175903400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).