About [methyl(triphenyl)-λ5-phosphanyl]-triphenylphosphanium;hydroiodide
[methyl(triphenyl)-λ5-phosphanyl]-triphenylphosphanium;hydroiodide (PubChem CID 173126694) has the molecular formula C37H34IP2+
and a molecular weight of 667.53 g/mol. Its IUPAC name is [methyl(triphenyl)-λ5-phosphanyl]-triphenylphosphanium;hydroiodide.
Molecular Properties
| Compound Name | [methyl(triphenyl)-λ5-phosphanyl]-triphenylphosphanium;hydroiodide |
|---|
| PubChem CID | 173126694 |
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| Molecular Formula | C37H34IP2+ |
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| Molecular Weight | 667.53 g/mol |
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| Exact Mass | 667.12 |
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| IUPAC Name | [methyl(triphenyl)-λ5-phosphanyl]-triphenylphosphanium;hydroiodide |
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| SMILES | CP(c1ccccc1)(c1ccccc1)(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.I |
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| InChI | InChI=1S/C37H33P2.HI/c1-39(35-26-14-5-15-27-35,36-28-16-6-17-29-36,37-30-18-7-19-31-37)38(32-20-8-2-9-21-32,33-22-10-3-11-23-33)34-24-12-4-13-25-34;/h2-31H,1H3;1H/q+1; |
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| InChIKey | CSXIGCPFAOGMKP-UHFFFAOYSA-N |
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| XLogP | 7.67 |
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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 | 7 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 667.53 |
| LogP ≤ 5 | 7.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [methyl(triphenyl)-λ5-phosphanyl]-triphenylphosphanium;hydroiodide?
The IUPAC name of [methyl(triphenyl)-λ5-phosphanyl]-triphenylphosphanium;hydroiodide (CID 173126694) is [methyl(triphenyl)-λ5-phosphanyl]-triphenylphosphanium;hydroiodide.
What is the SMILES notation for [methyl(triphenyl)-λ5-phosphanyl]-triphenylphosphanium;hydroiodide?
The canonical SMILES for [methyl(triphenyl)-λ5-phosphanyl]-triphenylphosphanium;hydroiodide is CP(c1ccccc1)(c1ccccc1)(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.I.
What is the InChIKey of [methyl(triphenyl)-λ5-phosphanyl]-triphenylphosphanium;hydroiodide?
The InChIKey is CSXIGCPFAOGMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33P2.HI/c1-39(35-26-14-5-15-27-35,36-28-16-6-17-29-36,37-30-18-7-19-31-37)38(32-20-8-2-9-21-32,33-22-10-3-11-23-33)34-24-12-4-13-25-34;/h2-31H,1H3;1H/q+1;.
What are the key properties of [methyl(triphenyl)-λ5-phosphanyl]-triphenylphosphanium;hydroiodide?
[methyl(triphenyl)-λ5-phosphanyl]-triphenylphosphanium;hydroiodide has a molecular weight of 667.53 g/mol, XLogP of 7.67, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(triphenyl)-λ5-phosphanyl]-triphenylphosphanium;hydroiodide is sourced from PubChem (CID 173126694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).