[2,7-bis(3-tert-butylphenyl)-9H-fluoren-9-yl]-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane

C52H64OSi — CID 67206743

IUPAC[2,7-bis(3-tert-butylphenyl)-9H-fluoren-9-yl]-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane
SMILESC=CCOc1c(C(C)(C)C)cc(C(C)(C)C)cc1[Si](C)(C)C1c2cc(-c3cccc(C(C)(C)C)c3)ccc2-c2ccc(-c3cccc(C(C)(C)C)c3)cc21
InChIInChI=1S/C52H64OSi/c1-16-27-53-47-45(52(11,12)13)32-40(51(8,9)10)33-46(47)54(14,15)48-43-30-36(34-19-17-21-38(28-34)49(2,3)4)23-25-41(43)42-26-24-37(31-44(42)48)35-20-18-22-39(29-35)50(5,6)7/h16-26,28-33,48H,1,27H2,2-15H3
InChIKeyIYPGZNFXFRRQIV-UHFFFAOYSA-N
MW733.17 g/mol
LogP14.04
Rot. Bonds7

About [2,7-bis(3-tert-butylphenyl)-9H-fluoren-9-yl]-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane

[2,7-bis(3-tert-butylphenyl)-9H-fluoren-9-yl]-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane (PubChem CID 67206743) has the molecular formula C52H64OSi and a molecular weight of 733.17 g/mol. Its IUPAC name is [2,7-bis(3-tert-butylphenyl)-9H-fluoren-9-yl]-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane.

Molecular Properties

Compound Name[2,7-bis(3-tert-butylphenyl)-9H-fluoren-9-yl]-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane
PubChem CID67206743
Molecular FormulaC52H64OSi
Molecular Weight733.17 g/mol
Exact Mass732.47
IUPAC Name[2,7-bis(3-tert-butylphenyl)-9H-fluoren-9-yl]-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane
SMILESC=CCOc1c(C(C)(C)C)cc(C(C)(C)C)cc1[Si](C)(C)C1c2cc(-c3cccc(C(C)(C)C)c3)ccc2-c2ccc(-c3cccc(C(C)(C)C)c3)cc21
InChIInChI=1S/C52H64OSi/c1-16-27-53-47-45(52(11,12)13)32-40(51(8,9)10)33-46(47)54(14,15)48-43-30-36(34-19-17-21-38(28-34)49(2,3)4)23-25-41(43)42-26-24-37(31-44(42)48)35-20-18-22-39(29-35)50(5,6)7/h16-26,28-33,48H,1,27H2,2-15H3
InChIKeyIYPGZNFXFRRQIV-UHFFFAOYSA-N
XLogP14.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.17
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,7-bis(3-tert-butylphenyl)-9H-fluoren-9-yl]-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane?
The IUPAC name of [2,7-bis(3-tert-butylphenyl)-9H-fluoren-9-yl]-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane (CID 67206743) is [2,7-bis(3-tert-butylphenyl)-9H-fluoren-9-yl]-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane.
What is the SMILES notation for [2,7-bis(3-tert-butylphenyl)-9H-fluoren-9-yl]-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane?
The canonical SMILES for [2,7-bis(3-tert-butylphenyl)-9H-fluoren-9-yl]-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane is C=CCOc1c(C(C)(C)C)cc(C(C)(C)C)cc1[Si](C)(C)C1c2cc(-c3cccc(C(C)(C)C)c3)ccc2-c2ccc(-c3cccc(C(C)(C)C)c3)cc21.
What is the InChIKey of [2,7-bis(3-tert-butylphenyl)-9H-fluoren-9-yl]-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane?
The InChIKey is IYPGZNFXFRRQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H64OSi/c1-16-27-53-47-45(52(11,12)13)32-40(51(8,9)10)33-46(47)54(14,15)48-43-30-36(34-19-17-21-38(28-34)49(2,3)4)23-25-41(43)42-26-24-37(31-44(42)48)35-20-18-22-39(29-35)50(5,6)7/h16-26,28-33,48H,1,27H2,2-15H3.
What are the key properties of [2,7-bis(3-tert-butylphenyl)-9H-fluoren-9-yl]-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane?
[2,7-bis(3-tert-butylphenyl)-9H-fluoren-9-yl]-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane has a molecular weight of 733.17 g/mol, XLogP of 14.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,7-bis(3-tert-butylphenyl)-9H-fluoren-9-yl]-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane is sourced from PubChem (CID 67206743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).