About bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-methylphenyl)iodanium;diphenyliodanium
bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-methylphenyl)iodanium;diphenyliodanium (PubChem CID 159038581) has the molecular formula C58H58F2I4+4
and a molecular weight of 1300.71 g/mol. Its IUPAC name is bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-methylphenyl)iodanium;diphenyliodanium.
Molecular Properties
| Compound Name | bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-methylphenyl)iodanium;diphenyliodanium |
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| PubChem CID | 159038581 |
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| Molecular Formula | C58H58F2I4+4 |
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| Molecular Weight | 1300.71 g/mol |
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| Exact Mass | 1300.07 |
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| IUPAC Name | bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-methylphenyl)iodanium;diphenyliodanium |
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| SMILES | CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.Cc1ccc([I+]c2ccc(C)cc2)cc1.Fc1ccc([I+]c2ccc(F)cc2)cc1.c1ccc([I+]c2ccccc2)cc1 |
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| InChI | InChI=1S/C20H26I.C14H14I.C12H8F2I.C12H10I/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h7-14H,1-6H3;3-10H,1-2H3;1-8H;1-10H/q4*+1 |
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| InChIKey | JVTKBXJIWZSNBV-UHFFFAOYSA-N |
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| XLogP | 2.75 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 64 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 1300.71 |
| LogP ≤ 5 | 2.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-methylphenyl)iodanium;diphenyliodanium?
The IUPAC name of bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-methylphenyl)iodanium;diphenyliodanium (CID 159038581) is bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-methylphenyl)iodanium;diphenyliodanium.
What is the SMILES notation for bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-methylphenyl)iodanium;diphenyliodanium?
The canonical SMILES for bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-methylphenyl)iodanium;diphenyliodanium is CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.Cc1ccc([I+]c2ccc(C)cc2)cc1.Fc1ccc([I+]c2ccc(F)cc2)cc1.c1ccc([I+]c2ccccc2)cc1.
What is the InChIKey of bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-methylphenyl)iodanium;diphenyliodanium?
The InChIKey is JVTKBXJIWZSNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26I.C14H14I.C12H8F2I.C12H10I/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h7-14H,1-6H3;3-10H,1-2H3;1-8H;1-10H/q4*+1.
What are the key properties of bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-methylphenyl)iodanium;diphenyliodanium?
bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-methylphenyl)iodanium;diphenyliodanium has a molecular weight of 1300.71 g/mol, XLogP of 2.75, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-methylphenyl)iodanium;diphenyliodanium is sourced from PubChem (CID 159038581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).