About [1-[2-bis(4-fluorophenyl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-dinaphthalen-2-ylphosphane
[1-[2-bis(4-fluorophenyl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-dinaphthalen-2-ylphosphane (PubChem CID 11072759) has the molecular formula C52H34F2OP2
and a molecular weight of 774.79 g/mol. Its IUPAC name is [1-[2-bis(4-fluorophenyl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-dinaphthalen-2-ylphosphane.
Molecular Properties
| Compound Name | [1-[2-bis(4-fluorophenyl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-dinaphthalen-2-ylphosphane |
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| PubChem CID | 11072759 |
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| Molecular Formula | C52H34F2OP2 |
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| Molecular Weight | 774.79 g/mol |
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| Exact Mass | 774.21 |
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| IUPAC Name | [1-[2-bis(4-fluorophenyl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-dinaphthalen-2-ylphosphane |
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| SMILES | Fc1ccc(P(Oc2ccc3ccccc3c2-c2c(P(c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc3ccccc23)c2ccc(F)cc2)cc1 |
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| InChI | InChI=1S/C52H34F2OP2/c53-41-21-27-43(28-22-41)57(44-29-23-42(54)24-30-44)55-49-31-19-37-11-5-7-15-47(37)51(49)52-48-16-8-6-12-38(48)20-32-50(52)56(45-25-17-35-9-1-3-13-39(35)33-45)46-26-18-36-10-2-4-14-40(36)34-46/h1-34H |
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| InChIKey | XKXODOVTJKPGCF-UHFFFAOYSA-N |
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| XLogP | 12.43 |
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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 | 8 |
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| Heavy Atoms | 57 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 774.79 |
| LogP ≤ 5 | 12.43 |
| 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 [1-[2-bis(4-fluorophenyl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-dinaphthalen-2-ylphosphane?
The IUPAC name of [1-[2-bis(4-fluorophenyl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-dinaphthalen-2-ylphosphane (CID 11072759) is [1-[2-bis(4-fluorophenyl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-dinaphthalen-2-ylphosphane.
What is the SMILES notation for [1-[2-bis(4-fluorophenyl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-dinaphthalen-2-ylphosphane?
The canonical SMILES for [1-[2-bis(4-fluorophenyl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-dinaphthalen-2-ylphosphane is Fc1ccc(P(Oc2ccc3ccccc3c2-c2c(P(c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc3ccccc23)c2ccc(F)cc2)cc1.
What is the InChIKey of [1-[2-bis(4-fluorophenyl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-dinaphthalen-2-ylphosphane?
The InChIKey is XKXODOVTJKPGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34F2OP2/c53-41-21-27-43(28-22-41)57(44-29-23-42(54)24-30-44)55-49-31-19-37-11-5-7-15-47(37)51(49)52-48-16-8-6-12-38(48)20-32-50(52)56(45-25-17-35-9-1-3-13-39(35)33-45)46-26-18-36-10-2-4-14-40(36)34-46/h1-34H.
What are the key properties of [1-[2-bis(4-fluorophenyl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-dinaphthalen-2-ylphosphane?
[1-[2-bis(4-fluorophenyl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-dinaphthalen-2-ylphosphane has a molecular weight of 774.79 g/mol, XLogP of 12.43, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-bis(4-fluorophenyl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-dinaphthalen-2-ylphosphane is sourced from PubChem (CID 11072759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).