About [4-[(Z)-2-[4-[(Z)-2-[4-[(E)-2-(4-diphenylphosphanylphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-diphenylphosphane
[4-[(Z)-2-[4-[(Z)-2-[4-[(E)-2-(4-diphenylphosphanylphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-diphenylphosphane (PubChem CID 102073686) has the molecular formula C54H42P2
and a molecular weight of 752.88 g/mol. Its IUPAC name is [4-[(Z)-2-[4-[(Z)-2-[4-[(E)-2-(4-diphenylphosphanylphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-diphenylphosphane.
Molecular Properties
| Compound Name | [4-[(Z)-2-[4-[(Z)-2-[4-[(E)-2-(4-diphenylphosphanylphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-diphenylphosphane |
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| PubChem CID | 102073686 |
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| Molecular Formula | C54H42P2 |
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| Molecular Weight | 752.88 g/mol |
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| Exact Mass | 752.28 |
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| IUPAC Name | [4-[(Z)-2-[4-[(Z)-2-[4-[(E)-2-(4-diphenylphosphanylphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-diphenylphosphane |
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| SMILES | C(=C\c1ccc(/C=C/c2ccc(P(c3ccccc3)c3ccccc3)cc2)cc1)\c1ccc(/C=C\c2ccc(P(c3ccccc3)c3ccccc3)cc2)cc1 |
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| InChI | InChI=1S/C54H42P2/c1-5-13-49(14-6-1)55(50-15-7-2-8-16-50)53-39-35-47(36-40-53)33-31-45-27-23-43(24-28-45)21-22-44-25-29-46(30-26-44)32-34-48-37-41-54(42-38-48)56(51-17-9-3-10-18-51)52-19-11-4-12-20-52/h1-42H/b22-21-,33-31-,34-32+ |
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| InChIKey | UYZGDOVKEQHXAF-BCPJSLSASA-N |
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| XLogP | 11.71 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 12 |
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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 | 752.88 |
| LogP ≤ 5 | 11.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [4-[(Z)-2-[4-[(Z)-2-[4-[(E)-2-(4-diphenylphosphanylphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-diphenylphosphane?
The IUPAC name of [4-[(Z)-2-[4-[(Z)-2-[4-[(E)-2-(4-diphenylphosphanylphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-diphenylphosphane (CID 102073686) is [4-[(Z)-2-[4-[(Z)-2-[4-[(E)-2-(4-diphenylphosphanylphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-diphenylphosphane.
What is the SMILES notation for [4-[(Z)-2-[4-[(Z)-2-[4-[(E)-2-(4-diphenylphosphanylphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-diphenylphosphane?
The canonical SMILES for [4-[(Z)-2-[4-[(Z)-2-[4-[(E)-2-(4-diphenylphosphanylphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-diphenylphosphane is C(=C\c1ccc(/C=C/c2ccc(P(c3ccccc3)c3ccccc3)cc2)cc1)\c1ccc(/C=C\c2ccc(P(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[(Z)-2-[4-[(Z)-2-[4-[(E)-2-(4-diphenylphosphanylphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-diphenylphosphane?
The InChIKey is UYZGDOVKEQHXAF-BCPJSLSASA-N. The full InChI is InChI=1S/C54H42P2/c1-5-13-49(14-6-1)55(50-15-7-2-8-16-50)53-39-35-47(36-40-53)33-31-45-27-23-43(24-28-45)21-22-44-25-29-46(30-26-44)32-34-48-37-41-54(42-38-48)56(51-17-9-3-10-18-51)52-19-11-4-12-20-52/h1-42H/b22-21-,33-31-,34-32+.
What are the key properties of [4-[(Z)-2-[4-[(Z)-2-[4-[(E)-2-(4-diphenylphosphanylphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-diphenylphosphane?
[4-[(Z)-2-[4-[(Z)-2-[4-[(E)-2-(4-diphenylphosphanylphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-diphenylphosphane has a molecular weight of 752.88 g/mol, XLogP of 11.71, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-2-[4-[(Z)-2-[4-[(E)-2-(4-diphenylphosphanylphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-diphenylphosphane is sourced from PubChem (CID 102073686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).