1,1-bis(9H-fluoren-9-yl)-3-trimethylsilylprop-2-yn-1-ol

C32H28OSi — CID 139220315

IUPAC1,1-bis(9H-fluoren-9-yl)-3-trimethylsilylprop-2-yn-1-ol
SMILESC[Si](C)(C)C#CC(O)(C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C32H28OSi/c1-34(2,3)21-20-32(33,30-26-16-8-4-12-22(26)23-13-5-9-17-27(23)30)31-28-18-10-6-14-24(28)25-15-7-11-19-29(25)31/h4-19,30-31,33H,1-3H3
InChIKeyYSLGHHPYNQUIGZ-UHFFFAOYSA-N
MW456.66 g/mol
LogP7.22
Rot. Bonds2

About 1,1-bis(9H-fluoren-9-yl)-3-trimethylsilylprop-2-yn-1-ol

1,1-bis(9H-fluoren-9-yl)-3-trimethylsilylprop-2-yn-1-ol (PubChem CID 139220315) has the molecular formula C32H28OSi and a molecular weight of 456.66 g/mol. Its IUPAC name is 1,1-bis(9H-fluoren-9-yl)-3-trimethylsilylprop-2-yn-1-ol.

Molecular Properties

Compound Name1,1-bis(9H-fluoren-9-yl)-3-trimethylsilylprop-2-yn-1-ol
PubChem CID139220315
Molecular FormulaC32H28OSi
Molecular Weight456.66 g/mol
Exact Mass456.19
IUPAC Name1,1-bis(9H-fluoren-9-yl)-3-trimethylsilylprop-2-yn-1-ol
SMILESC[Si](C)(C)C#CC(O)(C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C32H28OSi/c1-34(2,3)21-20-32(33,30-26-16-8-4-12-22(26)23-13-5-9-17-27(23)30)31-28-18-10-6-14-24(28)25-15-7-11-19-29(25)31/h4-19,30-31,33H,1-3H3
InChIKeyYSLGHHPYNQUIGZ-UHFFFAOYSA-N
XLogP7.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.66
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(9H-fluoren-9-yl)-3-trimethylsilylprop-2-yn-1-ol?
The IUPAC name of 1,1-bis(9H-fluoren-9-yl)-3-trimethylsilylprop-2-yn-1-ol (CID 139220315) is 1,1-bis(9H-fluoren-9-yl)-3-trimethylsilylprop-2-yn-1-ol.
What is the SMILES notation for 1,1-bis(9H-fluoren-9-yl)-3-trimethylsilylprop-2-yn-1-ol?
The canonical SMILES for 1,1-bis(9H-fluoren-9-yl)-3-trimethylsilylprop-2-yn-1-ol is C[Si](C)(C)C#CC(O)(C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 1,1-bis(9H-fluoren-9-yl)-3-trimethylsilylprop-2-yn-1-ol?
The InChIKey is YSLGHHPYNQUIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28OSi/c1-34(2,3)21-20-32(33,30-26-16-8-4-12-22(26)23-13-5-9-17-27(23)30)31-28-18-10-6-14-24(28)25-15-7-11-19-29(25)31/h4-19,30-31,33H,1-3H3.
What are the key properties of 1,1-bis(9H-fluoren-9-yl)-3-trimethylsilylprop-2-yn-1-ol?
1,1-bis(9H-fluoren-9-yl)-3-trimethylsilylprop-2-yn-1-ol has a molecular weight of 456.66 g/mol, XLogP of 7.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(9H-fluoren-9-yl)-3-trimethylsilylprop-2-yn-1-ol is sourced from PubChem (CID 139220315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).