About [4-[2,7-bis(2-methylbutan-2-yl)-9-[4-tri(propan-2-yl)silyloxyphenyl]fluoren-9-yl]phenoxy]-tri(propan-2-yl)silane
[4-[2,7-bis(2-methylbutan-2-yl)-9-[4-tri(propan-2-yl)silyloxyphenyl]fluoren-9-yl]phenoxy]-tri(propan-2-yl)silane (PubChem CID 145317330) has the molecular formula C53H78O2Si2
and a molecular weight of 803.38 g/mol. Its IUPAC name is [4-[2,7-bis(2-methylbutan-2-yl)-9-[4-tri(propan-2-yl)silyloxyphenyl]fluoren-9-yl]phenoxy]-tri(propan-2-yl)silane.
Molecular Properties
| Compound Name | [4-[2,7-bis(2-methylbutan-2-yl)-9-[4-tri(propan-2-yl)silyloxyphenyl]fluoren-9-yl]phenoxy]-tri(propan-2-yl)silane |
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| PubChem CID | 145317330 |
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| Molecular Formula | C53H78O2Si2 |
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| Molecular Weight | 803.38 g/mol |
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| Exact Mass | 802.55 |
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| IUPAC Name | [4-[2,7-bis(2-methylbutan-2-yl)-9-[4-tri(propan-2-yl)silyloxyphenyl]fluoren-9-yl]phenoxy]-tri(propan-2-yl)silane |
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| SMILES | CCC(C)(C)c1ccc2c(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(C)(C)CC)ccc1-2 |
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| InChI | InChI=1S/C53H78O2Si2/c1-19-51(15,16)43-25-31-47-48-32-26-44(52(17,18)20-2)34-50(48)53(49(47)33-43,41-21-27-45(28-22-41)54-56(35(3)4,36(5)6)37(7)8)42-23-29-46(30-24-42)55-57(38(9)10,39(11)12)40(13)14/h21-40H,19-20H2,1-18H3 |
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| InChIKey | KDRKJLDEZUGRGQ-UHFFFAOYSA-N |
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| XLogP | 16.53 |
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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 | 16 |
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| Heavy Atoms | 57 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 803.38 |
| LogP ≤ 5 | 16.53 |
| 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-bis(2-methylbutan-2-yl)-9-[4-tri(propan-2-yl)silyloxyphenyl]fluoren-9-yl]phenoxy]-tri(propan-2-yl)silane?
The IUPAC name of [4-[2,7-bis(2-methylbutan-2-yl)-9-[4-tri(propan-2-yl)silyloxyphenyl]fluoren-9-yl]phenoxy]-tri(propan-2-yl)silane (CID 145317330) is [4-[2,7-bis(2-methylbutan-2-yl)-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-bis(2-methylbutan-2-yl)-9-[4-tri(propan-2-yl)silyloxyphenyl]fluoren-9-yl]phenoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [4-[2,7-bis(2-methylbutan-2-yl)-9-[4-tri(propan-2-yl)silyloxyphenyl]fluoren-9-yl]phenoxy]-tri(propan-2-yl)silane is CCC(C)(C)c1ccc2c(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(C)(C)CC)ccc1-2.
What is the InChIKey of [4-[2,7-bis(2-methylbutan-2-yl)-9-[4-tri(propan-2-yl)silyloxyphenyl]fluoren-9-yl]phenoxy]-tri(propan-2-yl)silane?
The InChIKey is KDRKJLDEZUGRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H78O2Si2/c1-19-51(15,16)43-25-31-47-48-32-26-44(52(17,18)20-2)34-50(48)53(49(47)33-43,41-21-27-45(28-22-41)54-56(35(3)4,36(5)6)37(7)8)42-23-29-46(30-24-42)55-57(38(9)10,39(11)12)40(13)14/h21-40H,19-20H2,1-18H3.
What are the key properties of [4-[2,7-bis(2-methylbutan-2-yl)-9-[4-tri(propan-2-yl)silyloxyphenyl]fluoren-9-yl]phenoxy]-tri(propan-2-yl)silane?
[4-[2,7-bis(2-methylbutan-2-yl)-9-[4-tri(propan-2-yl)silyloxyphenyl]fluoren-9-yl]phenoxy]-tri(propan-2-yl)silane has a molecular weight of 803.38 g/mol, XLogP of 16.53, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2,7-bis(2-methylbutan-2-yl)-9-[4-tri(propan-2-yl)silyloxyphenyl]fluoren-9-yl]phenoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 145317330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).