About bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane
bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane (PubChem CID 59260573) has the molecular formula C46H36Br2F6P2
and a molecular weight of 924.54 g/mol. Its IUPAC name is bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane.
Molecular Properties
| Compound Name | bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane |
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| PubChem CID | 59260573 |
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| Molecular Formula | C46H36Br2F6P2 |
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| Molecular Weight | 924.54 g/mol |
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| Exact Mass | 922.06 |
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| IUPAC Name | bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane |
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| SMILES | FC(F)(F)c1cc(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)c(C(F)(F)F)cc1CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1 |
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| InChI | InChI=1S/C46H36Br2F6P2/c47-55(37-19-7-1-8-20-37,38-21-9-2-10-22-38,39-23-11-3-12-24-39)33-35-31-44(46(52,53)54)36(32-43(35)45(49,50)51)34-56(48,40-25-13-4-14-26-40,41-27-15-5-16-28-41)42-29-17-6-18-30-42/h1-32H,33-34H2 |
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| InChIKey | LQQBQOXFHLGTJR-UHFFFAOYSA-N |
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| XLogP | 12.40 |
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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 | 10 |
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| Heavy Atoms | 56 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 924.54 |
| LogP ≤ 5 | 12.40 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane?
The IUPAC name of bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane (CID 59260573) is bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane.
What is the SMILES notation for bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane?
The canonical SMILES for bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane is FC(F)(F)c1cc(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)c(C(F)(F)F)cc1CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane?
The InChIKey is LQQBQOXFHLGTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36Br2F6P2/c47-55(37-19-7-1-8-20-37,38-21-9-2-10-22-38,39-23-11-3-12-24-39)33-35-31-44(46(52,53)54)36(32-43(35)45(49,50)51)34-56(48,40-25-13-4-14-26-40,41-27-15-5-16-28-41)42-29-17-6-18-30-42/h1-32H,33-34H2.
What are the key properties of bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane?
bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane has a molecular weight of 924.54 g/mol, XLogP of 12.40, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane is sourced from PubChem (CID 59260573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).