bis(4-prop-2-enylphenyl)iodanium

C18H18I+ — CID 87130865

IUPACbis(4-prop-2-enylphenyl)iodanium
SMILESC=CCc1ccc([I+]c2ccc(CC=C)cc2)cc1
InChIInChI=1S/C18H18I/c1-3-5-15-7-11-17(12-8-15)19-18-13-9-16(6-4-2)10-14-18/h3-4,7-14H,1-2,5-6H2/q+1
InChIKeyVLYQFEVGPSVJII-UHFFFAOYSA-N
MW361.25 g/mol
LogP1.27
Rot. Bonds6

About bis(4-prop-2-enylphenyl)iodanium

bis(4-prop-2-enylphenyl)iodanium (PubChem CID 87130865) has the molecular formula C18H18I+ and a molecular weight of 361.25 g/mol. Its IUPAC name is bis(4-prop-2-enylphenyl)iodanium.

Molecular Properties

Compound Namebis(4-prop-2-enylphenyl)iodanium
PubChem CID87130865
Molecular FormulaC18H18I+
Molecular Weight361.25 g/mol
Exact Mass361.04
IUPAC Namebis(4-prop-2-enylphenyl)iodanium
SMILESC=CCc1ccc([I+]c2ccc(CC=C)cc2)cc1
InChIInChI=1S/C18H18I/c1-3-5-15-7-11-17(12-8-15)19-18-13-9-16(6-4-2)10-14-18/h3-4,7-14H,1-2,5-6H2/q+1
InChIKeyVLYQFEVGPSVJII-UHFFFAOYSA-N
XLogP1.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-prop-2-enylphenyl)iodanium?
The IUPAC name of bis(4-prop-2-enylphenyl)iodanium (CID 87130865) is bis(4-prop-2-enylphenyl)iodanium.
What is the SMILES notation for bis(4-prop-2-enylphenyl)iodanium?
The canonical SMILES for bis(4-prop-2-enylphenyl)iodanium is C=CCc1ccc([I+]c2ccc(CC=C)cc2)cc1.
What is the InChIKey of bis(4-prop-2-enylphenyl)iodanium?
The InChIKey is VLYQFEVGPSVJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18I/c1-3-5-15-7-11-17(12-8-15)19-18-13-9-16(6-4-2)10-14-18/h3-4,7-14H,1-2,5-6H2/q+1.
What are the key properties of bis(4-prop-2-enylphenyl)iodanium?
bis(4-prop-2-enylphenyl)iodanium has a molecular weight of 361.25 g/mol, XLogP of 1.27, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-prop-2-enylphenyl)iodanium is sourced from PubChem (CID 87130865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).