About [4-[[3,5-bis[bis(4-prop-2-enoyloxyphenyl)stibanyl]phenyl]-(4-prop-2-enoyloxyphenyl)stibanyl]phenyl] prop-2-enoate
[4-[[3,5-bis[bis(4-prop-2-enoyloxyphenyl)stibanyl]phenyl]-(4-prop-2-enoyloxyphenyl)stibanyl]phenyl] prop-2-enoate (PubChem CID 172799970) has the molecular formula C60H45O12Sb3
and a molecular weight of 1323.29 g/mol. Its IUPAC name is [4-[[3,5-bis[bis(4-prop-2-enoyloxyphenyl)stibanyl]phenyl]-(4-prop-2-enoyloxyphenyl)stibanyl]phenyl] prop-2-enoate.
Molecular Properties
| Compound Name | [4-[[3,5-bis[bis(4-prop-2-enoyloxyphenyl)stibanyl]phenyl]-(4-prop-2-enoyloxyphenyl)stibanyl]phenyl] prop-2-enoate |
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| PubChem CID | 172799970 |
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| Molecular Formula | C60H45O12Sb3 |
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| Molecular Weight | 1323.29 g/mol |
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| Exact Mass | 1320.00 |
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| IUPAC Name | [4-[[3,5-bis[bis(4-prop-2-enoyloxyphenyl)stibanyl]phenyl]-(4-prop-2-enoyloxyphenyl)stibanyl]phenyl] prop-2-enoate |
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| SMILES | C=CC(=O)Oc1ccc([Sb](c2ccc(OC(=O)C=C)cc2)c2cc([Sb](c3ccc(OC(=O)C=C)cc3)c3ccc(OC(=O)C=C)cc3)cc([Sb](c3ccc(OC(=O)C=C)cc3)c3ccc(OC(=O)C=C)cc3)c2)cc1 |
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| InChI | InChI=1S/6C9H7O2.C6H3.3Sb/c6*1-2-9(10)11-8-6-4-3-5-7-8;1-2-4-6-5-3-1;;;/h6*2,4-7H,1H2;1,4-5H;;; |
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| InChIKey | QSQHMIARSMLJNU-UHFFFAOYSA-N |
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| XLogP | 3.78 |
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| TPSA | 157.80 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 12 |
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| Rotatable Bonds | 21 |
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| Heavy Atoms | 75 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1323.29 |
| LogP ≤ 5 | 3.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [4-[[3,5-bis[bis(4-prop-2-enoyloxyphenyl)stibanyl]phenyl]-(4-prop-2-enoyloxyphenyl)stibanyl]phenyl] prop-2-enoate?
The IUPAC name of [4-[[3,5-bis[bis(4-prop-2-enoyloxyphenyl)stibanyl]phenyl]-(4-prop-2-enoyloxyphenyl)stibanyl]phenyl] prop-2-enoate (CID 172799970) is [4-[[3,5-bis[bis(4-prop-2-enoyloxyphenyl)stibanyl]phenyl]-(4-prop-2-enoyloxyphenyl)stibanyl]phenyl] prop-2-enoate.
What is the SMILES notation for [4-[[3,5-bis[bis(4-prop-2-enoyloxyphenyl)stibanyl]phenyl]-(4-prop-2-enoyloxyphenyl)stibanyl]phenyl] prop-2-enoate?
The canonical SMILES for [4-[[3,5-bis[bis(4-prop-2-enoyloxyphenyl)stibanyl]phenyl]-(4-prop-2-enoyloxyphenyl)stibanyl]phenyl] prop-2-enoate is C=CC(=O)Oc1ccc([Sb](c2ccc(OC(=O)C=C)cc2)c2cc([Sb](c3ccc(OC(=O)C=C)cc3)c3ccc(OC(=O)C=C)cc3)cc([Sb](c3ccc(OC(=O)C=C)cc3)c3ccc(OC(=O)C=C)cc3)c2)cc1.
What is the InChIKey of [4-[[3,5-bis[bis(4-prop-2-enoyloxyphenyl)stibanyl]phenyl]-(4-prop-2-enoyloxyphenyl)stibanyl]phenyl] prop-2-enoate?
The InChIKey is QSQHMIARSMLJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/6C9H7O2.C6H3.3Sb/c6*1-2-9(10)11-8-6-4-3-5-7-8;1-2-4-6-5-3-1;;;/h6*2,4-7H,1H2;1,4-5H;;;.
What are the key properties of [4-[[3,5-bis[bis(4-prop-2-enoyloxyphenyl)stibanyl]phenyl]-(4-prop-2-enoyloxyphenyl)stibanyl]phenyl] prop-2-enoate?
[4-[[3,5-bis[bis(4-prop-2-enoyloxyphenyl)stibanyl]phenyl]-(4-prop-2-enoyloxyphenyl)stibanyl]phenyl] prop-2-enoate has a molecular weight of 1323.29 g/mol, XLogP of 3.78, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3,5-bis[bis(4-prop-2-enoyloxyphenyl)stibanyl]phenyl]-(4-prop-2-enoyloxyphenyl)stibanyl]phenyl] prop-2-enoate is sourced from PubChem (CID 172799970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).