About 1-[9-dodecyl-6-[1-tri(propan-2-yl)silyloxyethenyl]carbazol-3-yl]ethenoxy-tri(propan-2-yl)silane
1-[9-dodecyl-6-[1-tri(propan-2-yl)silyloxyethenyl]carbazol-3-yl]ethenoxy-tri(propan-2-yl)silane (PubChem CID 10580799) has the molecular formula C46H77NO2Si2
and a molecular weight of 732.30 g/mol. Its IUPAC name is 1-[9-dodecyl-6-[1-tri(propan-2-yl)silyloxyethenyl]carbazol-3-yl]ethenoxy-tri(propan-2-yl)silane.
Molecular Properties
| Compound Name | 1-[9-dodecyl-6-[1-tri(propan-2-yl)silyloxyethenyl]carbazol-3-yl]ethenoxy-tri(propan-2-yl)silane |
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| PubChem CID | 10580799 |
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| Molecular Formula | C46H77NO2Si2 |
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| Molecular Weight | 732.30 g/mol |
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| Exact Mass | 731.55 |
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| IUPAC Name | 1-[9-dodecyl-6-[1-tri(propan-2-yl)silyloxyethenyl]carbazol-3-yl]ethenoxy-tri(propan-2-yl)silane |
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| SMILES | C=C(O[Si](C(C)C)(C(C)C)C(C)C)c1ccc2c(c1)c1cc(C(=C)O[Si](C(C)C)(C(C)C)C(C)C)ccc1n2CCCCCCCCCCCC |
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| InChI | InChI=1S/C46H77NO2Si2/c1-16-17-18-19-20-21-22-23-24-25-30-47-45-28-26-41(39(14)48-50(33(2)3,34(4)5)35(6)7)31-43(45)44-32-42(27-29-46(44)47)40(15)49-51(36(8)9,37(10)11)38(12)13/h26-29,31-38H,14-25,30H2,1-13H3 |
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| InChIKey | SAJPIFCRTJDIKK-UHFFFAOYSA-N |
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| XLogP | 16.04 |
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| TPSA | 23.39 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 23 |
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| Heavy Atoms | 51 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 732.30 |
| LogP ≤ 5 | 16.04 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-[9-dodecyl-6-[1-tri(propan-2-yl)silyloxyethenyl]carbazol-3-yl]ethenoxy-tri(propan-2-yl)silane?
The IUPAC name of 1-[9-dodecyl-6-[1-tri(propan-2-yl)silyloxyethenyl]carbazol-3-yl]ethenoxy-tri(propan-2-yl)silane (CID 10580799) is 1-[9-dodecyl-6-[1-tri(propan-2-yl)silyloxyethenyl]carbazol-3-yl]ethenoxy-tri(propan-2-yl)silane.
What is the SMILES notation for 1-[9-dodecyl-6-[1-tri(propan-2-yl)silyloxyethenyl]carbazol-3-yl]ethenoxy-tri(propan-2-yl)silane?
The canonical SMILES for 1-[9-dodecyl-6-[1-tri(propan-2-yl)silyloxyethenyl]carbazol-3-yl]ethenoxy-tri(propan-2-yl)silane is C=C(O[Si](C(C)C)(C(C)C)C(C)C)c1ccc2c(c1)c1cc(C(=C)O[Si](C(C)C)(C(C)C)C(C)C)ccc1n2CCCCCCCCCCCC.
What is the InChIKey of 1-[9-dodecyl-6-[1-tri(propan-2-yl)silyloxyethenyl]carbazol-3-yl]ethenoxy-tri(propan-2-yl)silane?
The InChIKey is SAJPIFCRTJDIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H77NO2Si2/c1-16-17-18-19-20-21-22-23-24-25-30-47-45-28-26-41(39(14)48-50(33(2)3,34(4)5)35(6)7)31-43(45)44-32-42(27-29-46(44)47)40(15)49-51(36(8)9,37(10)11)38(12)13/h26-29,31-38H,14-25,30H2,1-13H3.
What are the key properties of 1-[9-dodecyl-6-[1-tri(propan-2-yl)silyloxyethenyl]carbazol-3-yl]ethenoxy-tri(propan-2-yl)silane?
1-[9-dodecyl-6-[1-tri(propan-2-yl)silyloxyethenyl]carbazol-3-yl]ethenoxy-tri(propan-2-yl)silane has a molecular weight of 732.30 g/mol, XLogP of 16.04, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-dodecyl-6-[1-tri(propan-2-yl)silyloxyethenyl]carbazol-3-yl]ethenoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 10580799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).