About prop-1-en-2-yl 4-[[4-bis[(4-prop-1-en-2-yloxycarbonylphenyl)sulfanyl]stibanylphenyl]-(4-prop-1-en-2-yloxycarbonylphenyl)sulfanylstibanyl]sulfanylbenzoate
prop-1-en-2-yl 4-[[4-bis[(4-prop-1-en-2-yloxycarbonylphenyl)sulfanyl]stibanylphenyl]-(4-prop-1-en-2-yloxycarbonylphenyl)sulfanylstibanyl]sulfanylbenzoate (PubChem CID 172682306) has the molecular formula C46H40O8S4Sb2
and a molecular weight of 1092.61 g/mol. Its IUPAC name is prop-1-en-2-yl 4-[[4-bis[(4-prop-1-en-2-yloxycarbonylphenyl)sulfanyl]stibanylphenyl]-(4-prop-1-en-2-yloxycarbonylphenyl)sulfanylstibanyl]sulfanylbenzoate.
Molecular Properties
| Compound Name | prop-1-en-2-yl 4-[[4-bis[(4-prop-1-en-2-yloxycarbonylphenyl)sulfanyl]stibanylphenyl]-(4-prop-1-en-2-yloxycarbonylphenyl)sulfanylstibanyl]sulfanylbenzoate |
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| PubChem CID | 172682306 |
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| Molecular Formula | C46H40O8S4Sb2 |
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| Molecular Weight | 1092.61 g/mol |
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| Exact Mass | 1089.97 |
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| IUPAC Name | prop-1-en-2-yl 4-[[4-bis[(4-prop-1-en-2-yloxycarbonylphenyl)sulfanyl]stibanylphenyl]-(4-prop-1-en-2-yloxycarbonylphenyl)sulfanylstibanyl]sulfanylbenzoate |
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| SMILES | C=C(C)OC(=O)c1ccc(S[Sb](Sc2ccc(C(=O)OC(=C)C)cc2)c2ccc([Sb](Sc3ccc(C(=O)OC(=C)C)cc3)Sc3ccc(C(=O)OC(=C)C)cc3)cc2)cc1 |
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| InChI | InChI=1S/4C10H10O2S.C6H4.2Sb/c4*1-7(2)12-10(11)8-3-5-9(13)6-4-8;1-2-4-6-5-3-1;;/h4*3-6,13H,1H2,2H3;1-2,5-6H;;/q;;;;;2*+2/p-4 |
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| InChIKey | AOLIXHGWVDVOSX-UHFFFAOYSA-J |
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| XLogP | 11.01 |
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| TPSA | 105.20 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 12 |
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| Rotatable Bonds | 18 |
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| Heavy Atoms | 60 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1092.61 |
| LogP ≤ 5 | 11.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Analyze prop-1-en-2-yl 4-[[4-bis[(4-prop-1-en-2-yloxycarbonylphenyl)sulfanyl]stibanylphenyl]-(4-prop-1-en-2-yloxycarbonylphenyl)sulfanylstibanyl]sulfanylbenzoate with MolForge
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Frequently Asked Questions
What is the IUPAC name of prop-1-en-2-yl 4-[[4-bis[(4-prop-1-en-2-yloxycarbonylphenyl)sulfanyl]stibanylphenyl]-(4-prop-1-en-2-yloxycarbonylphenyl)sulfanylstibanyl]sulfanylbenzoate?
The IUPAC name of prop-1-en-2-yl 4-[[4-bis[(4-prop-1-en-2-yloxycarbonylphenyl)sulfanyl]stibanylphenyl]-(4-prop-1-en-2-yloxycarbonylphenyl)sulfanylstibanyl]sulfanylbenzoate (CID 172682306) is prop-1-en-2-yl 4-[[4-bis[(4-prop-1-en-2-yloxycarbonylphenyl)sulfanyl]stibanylphenyl]-(4-prop-1-en-2-yloxycarbonylphenyl)sulfanylstibanyl]sulfanylbenzoate.
What is the SMILES notation for prop-1-en-2-yl 4-[[4-bis[(4-prop-1-en-2-yloxycarbonylphenyl)sulfanyl]stibanylphenyl]-(4-prop-1-en-2-yloxycarbonylphenyl)sulfanylstibanyl]sulfanylbenzoate?
The canonical SMILES for prop-1-en-2-yl 4-[[4-bis[(4-prop-1-en-2-yloxycarbonylphenyl)sulfanyl]stibanylphenyl]-(4-prop-1-en-2-yloxycarbonylphenyl)sulfanylstibanyl]sulfanylbenzoate is C=C(C)OC(=O)c1ccc(S[Sb](Sc2ccc(C(=O)OC(=C)C)cc2)c2ccc([Sb](Sc3ccc(C(=O)OC(=C)C)cc3)Sc3ccc(C(=O)OC(=C)C)cc3)cc2)cc1.
What is the InChIKey of prop-1-en-2-yl 4-[[4-bis[(4-prop-1-en-2-yloxycarbonylphenyl)sulfanyl]stibanylphenyl]-(4-prop-1-en-2-yloxycarbonylphenyl)sulfanylstibanyl]sulfanylbenzoate?
The InChIKey is AOLIXHGWVDVOSX-UHFFFAOYSA-J. The full InChI is InChI=1S/4C10H10O2S.C6H4.2Sb/c4*1-7(2)12-10(11)8-3-5-9(13)6-4-8;1-2-4-6-5-3-1;;/h4*3-6,13H,1H2,2H3;1-2,5-6H;;/q;;;;;2*+2/p-4.
What are the key properties of prop-1-en-2-yl 4-[[4-bis[(4-prop-1-en-2-yloxycarbonylphenyl)sulfanyl]stibanylphenyl]-(4-prop-1-en-2-yloxycarbonylphenyl)sulfanylstibanyl]sulfanylbenzoate?
prop-1-en-2-yl 4-[[4-bis[(4-prop-1-en-2-yloxycarbonylphenyl)sulfanyl]stibanylphenyl]-(4-prop-1-en-2-yloxycarbonylphenyl)sulfanylstibanyl]sulfanylbenzoate has a molecular weight of 1092.61 g/mol, XLogP of 11.01, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl 4-[[4-bis[(4-prop-1-en-2-yloxycarbonylphenyl)sulfanyl]stibanylphenyl]-(4-prop-1-en-2-yloxycarbonylphenyl)sulfanylstibanyl]sulfanylbenzoate is sourced from PubChem (CID 172682306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).