About [4-[2,7-dimethyl-9-[4-tri(propan-2-yl)silyloxyphenyl]fluoren-9-yl]phenoxy]-tri(propan-2-yl)silane
[4-[2,7-dimethyl-9-[4-tri(propan-2-yl)silyloxyphenyl]fluoren-9-yl]phenoxy]-tri(propan-2-yl)silane (PubChem CID 140931581) has the molecular formula C45H62O2Si2
and a molecular weight of 691.16 g/mol. Its IUPAC name is [4-[2,7-dimethyl-9-[4-tri(propan-2-yl)silyloxyphenyl]fluoren-9-yl]phenoxy]-tri(propan-2-yl)silane.
Molecular Properties
| Compound Name | [4-[2,7-dimethyl-9-[4-tri(propan-2-yl)silyloxyphenyl]fluoren-9-yl]phenoxy]-tri(propan-2-yl)silane |
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| PubChem CID | 140931581 |
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| Molecular Formula | C45H62O2Si2 |
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| Molecular Weight | 691.16 g/mol |
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| Exact Mass | 690.43 |
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| IUPAC Name | [4-[2,7-dimethyl-9-[4-tri(propan-2-yl)silyloxyphenyl]fluoren-9-yl]phenoxy]-tri(propan-2-yl)silane |
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| SMILES | Cc1ccc2c(c1)C(c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1)(c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1)c1cc(C)ccc1-2 |
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| InChI | InChI=1S/C45H62O2Si2/c1-29(2)48(30(3)4,31(5)6)46-39-21-17-37(18-22-39)45(43-27-35(13)15-25-41(43)42-26-16-36(14)28-44(42)45)38-19-23-40(24-20-38)47-49(32(7)8,33(9)10)34(11)12/h15-34H,1-14H3 |
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| InChIKey | WVIMTRAUHXYIKL-UHFFFAOYSA-N |
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| XLogP | 13.78 |
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| TPSA | 18.46 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 49 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 691.16 |
| LogP ≤ 5 | 13.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [4-[2,7-dimethyl-9-[4-tri(propan-2-yl)silyloxyphenyl]fluoren-9-yl]phenoxy]-tri(propan-2-yl)silane?
The IUPAC name of [4-[2,7-dimethyl-9-[4-tri(propan-2-yl)silyloxyphenyl]fluoren-9-yl]phenoxy]-tri(propan-2-yl)silane (CID 140931581) is [4-[2,7-dimethyl-9-[4-tri(propan-2-yl)silyloxyphenyl]fluoren-9-yl]phenoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [4-[2,7-dimethyl-9-[4-tri(propan-2-yl)silyloxyphenyl]fluoren-9-yl]phenoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [4-[2,7-dimethyl-9-[4-tri(propan-2-yl)silyloxyphenyl]fluoren-9-yl]phenoxy]-tri(propan-2-yl)silane is Cc1ccc2c(c1)C(c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1)(c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1)c1cc(C)ccc1-2.
What is the InChIKey of [4-[2,7-dimethyl-9-[4-tri(propan-2-yl)silyloxyphenyl]fluoren-9-yl]phenoxy]-tri(propan-2-yl)silane?
The InChIKey is WVIMTRAUHXYIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H62O2Si2/c1-29(2)48(30(3)4,31(5)6)46-39-21-17-37(18-22-39)45(43-27-35(13)15-25-41(43)42-26-16-36(14)28-44(42)45)38-19-23-40(24-20-38)47-49(32(7)8,33(9)10)34(11)12/h15-34H,1-14H3.
What are the key properties of [4-[2,7-dimethyl-9-[4-tri(propan-2-yl)silyloxyphenyl]fluoren-9-yl]phenoxy]-tri(propan-2-yl)silane?
[4-[2,7-dimethyl-9-[4-tri(propan-2-yl)silyloxyphenyl]fluoren-9-yl]phenoxy]-tri(propan-2-yl)silane has a molecular weight of 691.16 g/mol, XLogP of 13.78, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2,7-dimethyl-9-[4-tri(propan-2-yl)silyloxyphenyl]fluoren-9-yl]phenoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 140931581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).