About dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane
dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane (PubChem CID 20606210) has the molecular formula C50H64O4P2
and a molecular weight of 791.01 g/mol. Its IUPAC name is dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane.
Molecular Properties
| Compound Name | dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane |
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| PubChem CID | 20606210 |
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| Molecular Formula | C50H64O4P2 |
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| Molecular Weight | 791.01 g/mol |
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| Exact Mass | 790.43 |
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| IUPAC Name | dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane |
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| SMILES | COc1ccc(-c2ccccc2)c(OP(C2CCCCC2)C2CCCCC2)c1-c1c(OC)ccc(-c2ccccc2)c1OP(C1CCCCC1)C1CCCCC1 |
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| InChI | InChI=1S/C50H64O4P2/c1-51-45-35-33-43(37-21-9-3-10-22-37)49(53-55(39-25-13-5-14-26-39)40-27-15-6-16-28-40)47(45)48-46(52-2)36-34-44(38-23-11-4-12-24-38)50(48)54-56(41-29-17-7-18-30-41)42-31-19-8-20-32-42/h3-4,9-12,21-24,33-36,39-42H,5-8,13-20,25-32H2,1-2H3 |
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| InChIKey | YUBMOTCLCXIWEL-UHFFFAOYSA-N |
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| XLogP | 15.59 |
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| TPSA | 36.92 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 13 |
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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 | 791.01 |
| LogP ≤ 5 | 15.59 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane?
The IUPAC name of dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane (CID 20606210) is dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane.
What is the SMILES notation for dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane?
The canonical SMILES for dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane is COc1ccc(-c2ccccc2)c(OP(C2CCCCC2)C2CCCCC2)c1-c1c(OC)ccc(-c2ccccc2)c1OP(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane?
The InChIKey is YUBMOTCLCXIWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H64O4P2/c1-51-45-35-33-43(37-21-9-3-10-22-37)49(53-55(39-25-13-5-14-26-39)40-27-15-6-16-28-40)47(45)48-46(52-2)36-34-44(38-23-11-4-12-24-38)50(48)54-56(41-29-17-7-18-30-41)42-31-19-8-20-32-42/h3-4,9-12,21-24,33-36,39-42H,5-8,13-20,25-32H2,1-2H3.
What are the key properties of dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane?
dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane has a molecular weight of 791.01 g/mol, XLogP of 15.59, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane is sourced from PubChem (CID 20606210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).