About bromo-[[2-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenoxy]phenyl]methyl]-triphenyl-λ5-phosphane
bromo-[[2-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenoxy]phenyl]methyl]-triphenyl-λ5-phosphane (PubChem CID 134869477) has the molecular formula C50H42Br2OP2
and a molecular weight of 880.64 g/mol. Its IUPAC name is bromo-[[2-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenoxy]phenyl]methyl]-triphenyl-λ5-phosphane.
Molecular Properties
| Compound Name | bromo-[[2-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenoxy]phenyl]methyl]-triphenyl-λ5-phosphane |
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| PubChem CID | 134869477 |
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| Molecular Formula | C50H42Br2OP2 |
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| Molecular Weight | 880.64 g/mol |
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| Exact Mass | 878.11 |
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| IUPAC Name | bromo-[[2-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenoxy]phenyl]methyl]-triphenyl-λ5-phosphane |
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| SMILES | BrP(Cc1ccccc1Oc1ccccc1CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
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| InChI | InChI=1S/C50H42Br2OP2/c51-54(43-25-7-1-8-26-43,44-27-9-2-10-28-44,45-29-11-3-12-30-45)39-41-23-19-21-37-49(41)53-50-38-22-20-24-42(50)40-55(52,46-31-13-4-14-32-46,47-33-15-5-16-34-47)48-35-17-6-18-36-48/h1-38H,39-40H2 |
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| InChIKey | NXYMEKZCLPXPFS-UHFFFAOYSA-N |
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| XLogP | 12.16 |
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| TPSA | 9.23 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 55 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 880.64 |
| LogP ≤ 5 | 12.16 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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-[[2-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenoxy]phenyl]methyl]-triphenyl-λ5-phosphane?
The IUPAC name of bromo-[[2-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenoxy]phenyl]methyl]-triphenyl-λ5-phosphane (CID 134869477) is bromo-[[2-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenoxy]phenyl]methyl]-triphenyl-λ5-phosphane.
What is the SMILES notation for bromo-[[2-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenoxy]phenyl]methyl]-triphenyl-λ5-phosphane?
The canonical SMILES for bromo-[[2-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenoxy]phenyl]methyl]-triphenyl-λ5-phosphane is BrP(Cc1ccccc1Oc1ccccc1CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bromo-[[2-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenoxy]phenyl]methyl]-triphenyl-λ5-phosphane?
The InChIKey is NXYMEKZCLPXPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42Br2OP2/c51-54(43-25-7-1-8-26-43,44-27-9-2-10-28-44,45-29-11-3-12-30-45)39-41-23-19-21-37-49(41)53-50-38-22-20-24-42(50)40-55(52,46-31-13-4-14-32-46,47-33-15-5-16-34-47)48-35-17-6-18-36-48/h1-38H,39-40H2.
What are the key properties of bromo-[[2-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenoxy]phenyl]methyl]-triphenyl-λ5-phosphane?
bromo-[[2-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenoxy]phenyl]methyl]-triphenyl-λ5-phosphane has a molecular weight of 880.64 g/mol, XLogP of 12.16, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-[[2-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenoxy]phenyl]methyl]-triphenyl-λ5-phosphane is sourced from PubChem (CID 134869477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).