About [7-diphenylphosphanyl-8-(2-diphenylphosphanyl-7-prop-2-enoyloxynaphthalen-1-yl)naphthalen-2-yl] prop-2-enoate
[7-diphenylphosphanyl-8-(2-diphenylphosphanyl-7-prop-2-enoyloxynaphthalen-1-yl)naphthalen-2-yl] prop-2-enoate (PubChem CID 177076579) has the molecular formula C50H36O4P2
and a molecular weight of 762.78 g/mol. Its IUPAC name is [7-diphenylphosphanyl-8-(2-diphenylphosphanyl-7-prop-2-enoyloxynaphthalen-1-yl)naphthalen-2-yl] prop-2-enoate.
Molecular Properties
| Compound Name | [7-diphenylphosphanyl-8-(2-diphenylphosphanyl-7-prop-2-enoyloxynaphthalen-1-yl)naphthalen-2-yl] prop-2-enoate |
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| PubChem CID | 177076579 |
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| Molecular Formula | C50H36O4P2 |
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| Molecular Weight | 762.78 g/mol |
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| Exact Mass | 762.21 |
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| IUPAC Name | [7-diphenylphosphanyl-8-(2-diphenylphosphanyl-7-prop-2-enoyloxynaphthalen-1-yl)naphthalen-2-yl] prop-2-enoate |
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| SMILES | C=CC(=O)Oc1ccc2ccc(P(c3ccccc3)c3ccccc3)c(-c3c(P(c4ccccc4)c4ccccc4)ccc4ccc(OC(=O)C=C)cc34)c2c1 |
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| InChI | InChI=1S/C50H36O4P2/c1-3-47(51)53-37-29-25-35-27-31-45(55(39-17-9-5-10-18-39)40-19-11-6-12-20-40)49(43(35)33-37)50-44-34-38(54-48(52)4-2)30-26-36(44)28-32-46(50)56(41-21-13-7-14-22-41)42-23-15-8-16-24-42/h3-34H,1-2H2 |
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| InChIKey | CIAKYOXTDPMCBK-UHFFFAOYSA-N |
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| XLogP | 9.36 |
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| TPSA | 52.60 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 11 |
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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 | 762.78 |
| LogP ≤ 5 | 9.36 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [7-diphenylphosphanyl-8-(2-diphenylphosphanyl-7-prop-2-enoyloxynaphthalen-1-yl)naphthalen-2-yl] prop-2-enoate?
The IUPAC name of [7-diphenylphosphanyl-8-(2-diphenylphosphanyl-7-prop-2-enoyloxynaphthalen-1-yl)naphthalen-2-yl] prop-2-enoate (CID 177076579) is [7-diphenylphosphanyl-8-(2-diphenylphosphanyl-7-prop-2-enoyloxynaphthalen-1-yl)naphthalen-2-yl] prop-2-enoate.
What is the SMILES notation for [7-diphenylphosphanyl-8-(2-diphenylphosphanyl-7-prop-2-enoyloxynaphthalen-1-yl)naphthalen-2-yl] prop-2-enoate?
The canonical SMILES for [7-diphenylphosphanyl-8-(2-diphenylphosphanyl-7-prop-2-enoyloxynaphthalen-1-yl)naphthalen-2-yl] prop-2-enoate is C=CC(=O)Oc1ccc2ccc(P(c3ccccc3)c3ccccc3)c(-c3c(P(c4ccccc4)c4ccccc4)ccc4ccc(OC(=O)C=C)cc34)c2c1.
What is the InChIKey of [7-diphenylphosphanyl-8-(2-diphenylphosphanyl-7-prop-2-enoyloxynaphthalen-1-yl)naphthalen-2-yl] prop-2-enoate?
The InChIKey is CIAKYOXTDPMCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36O4P2/c1-3-47(51)53-37-29-25-35-27-31-45(55(39-17-9-5-10-18-39)40-19-11-6-12-20-40)49(43(35)33-37)50-44-34-38(54-48(52)4-2)30-26-36(44)28-32-46(50)56(41-21-13-7-14-22-41)42-23-15-8-16-24-42/h3-34H,1-2H2.
What are the key properties of [7-diphenylphosphanyl-8-(2-diphenylphosphanyl-7-prop-2-enoyloxynaphthalen-1-yl)naphthalen-2-yl] prop-2-enoate?
[7-diphenylphosphanyl-8-(2-diphenylphosphanyl-7-prop-2-enoyloxynaphthalen-1-yl)naphthalen-2-yl] prop-2-enoate has a molecular weight of 762.78 g/mol, XLogP of 9.36, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-diphenylphosphanyl-8-(2-diphenylphosphanyl-7-prop-2-enoyloxynaphthalen-1-yl)naphthalen-2-yl] prop-2-enoate is sourced from PubChem (CID 177076579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).