About [1-[2-[bis(4-fluorophenyl)phosphanylmethoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl-bis(4-fluorophenyl)phosphane
[1-[2-[bis(4-fluorophenyl)phosphanylmethoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl-bis(4-fluorophenyl)phosphane (PubChem CID 18984010) has the molecular formula C46H32F4O2P2
and a molecular weight of 754.70 g/mol. Its IUPAC name is [1-[2-[bis(4-fluorophenyl)phosphanylmethoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl-bis(4-fluorophenyl)phosphane.
Molecular Properties
| Compound Name | [1-[2-[bis(4-fluorophenyl)phosphanylmethoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl-bis(4-fluorophenyl)phosphane |
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| PubChem CID | 18984010 |
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| Molecular Formula | C46H32F4O2P2 |
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| Molecular Weight | 754.70 g/mol |
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| Exact Mass | 754.18 |
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| IUPAC Name | [1-[2-[bis(4-fluorophenyl)phosphanylmethoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl-bis(4-fluorophenyl)phosphane |
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| SMILES | Fc1ccc(P(COc2ccc3ccccc3c2-c2c(OCP(c3ccc(F)cc3)c3ccc(F)cc3)ccc3ccccc23)c2ccc(F)cc2)cc1 |
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| InChI | InChI=1S/C46H32F4O2P2/c47-33-11-19-37(20-12-33)53(38-21-13-34(48)14-22-38)29-51-43-27-9-31-5-1-3-7-41(31)45(43)46-42-8-4-2-6-32(42)10-28-44(46)52-30-54(39-23-15-35(49)16-24-39)40-25-17-36(50)18-26-40/h1-28H,29-30H2 |
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| InChIKey | SZMOVQVOXYHGMN-UHFFFAOYSA-N |
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| XLogP | 11.15 |
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| TPSA | 18.46 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 54 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 754.70 |
| LogP ≤ 5 | 11.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [1-[2-[bis(4-fluorophenyl)phosphanylmethoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl-bis(4-fluorophenyl)phosphane?
The IUPAC name of [1-[2-[bis(4-fluorophenyl)phosphanylmethoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl-bis(4-fluorophenyl)phosphane (CID 18984010) is [1-[2-[bis(4-fluorophenyl)phosphanylmethoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl-bis(4-fluorophenyl)phosphane.
What is the SMILES notation for [1-[2-[bis(4-fluorophenyl)phosphanylmethoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl-bis(4-fluorophenyl)phosphane?
The canonical SMILES for [1-[2-[bis(4-fluorophenyl)phosphanylmethoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl-bis(4-fluorophenyl)phosphane is Fc1ccc(P(COc2ccc3ccccc3c2-c2c(OCP(c3ccc(F)cc3)c3ccc(F)cc3)ccc3ccccc23)c2ccc(F)cc2)cc1.
What is the InChIKey of [1-[2-[bis(4-fluorophenyl)phosphanylmethoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl-bis(4-fluorophenyl)phosphane?
The InChIKey is SZMOVQVOXYHGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32F4O2P2/c47-33-11-19-37(20-12-33)53(38-21-13-34(48)14-22-38)29-51-43-27-9-31-5-1-3-7-41(31)45(43)46-42-8-4-2-6-32(42)10-28-44(46)52-30-54(39-23-15-35(49)16-24-39)40-25-17-36(50)18-26-40/h1-28H,29-30H2.
What are the key properties of [1-[2-[bis(4-fluorophenyl)phosphanylmethoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl-bis(4-fluorophenyl)phosphane?
[1-[2-[bis(4-fluorophenyl)phosphanylmethoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl-bis(4-fluorophenyl)phosphane has a molecular weight of 754.70 g/mol, XLogP of 11.15, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[bis(4-fluorophenyl)phosphanylmethoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl-bis(4-fluorophenyl)phosphane is sourced from PubChem (CID 18984010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).