fluoro-(2-phenylethynyl)-bis[2,4,6-tri(propan-2-yl)phenyl]silane

C38H51FSi — CID 10962705

IUPACfluoro-(2-phenylethynyl)-bis[2,4,6-tri(propan-2-yl)phenyl]silane
SMILESCC(C)c1cc(C(C)C)c([Si](F)(C#Cc2ccccc2)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C38H51FSi/c1-24(2)31-20-33(26(5)6)37(34(21-31)27(7)8)40(39,19-18-30-16-14-13-15-17-30)38-35(28(9)10)22-32(25(3)4)23-36(38)29(11)12/h13-17,20-29H,1-12H3
InChIKeyIZBKCCZNZSZLME-UHFFFAOYSA-N
MW554.91 g/mol
LogP10.05
Rot. Bonds8

About fluoro-(2-phenylethynyl)-bis[2,4,6-tri(propan-2-yl)phenyl]silane

fluoro-(2-phenylethynyl)-bis[2,4,6-tri(propan-2-yl)phenyl]silane (PubChem CID 10962705) has the molecular formula C38H51FSi and a molecular weight of 554.91 g/mol. Its IUPAC name is fluoro-(2-phenylethynyl)-bis[2,4,6-tri(propan-2-yl)phenyl]silane.

Molecular Properties

Compound Namefluoro-(2-phenylethynyl)-bis[2,4,6-tri(propan-2-yl)phenyl]silane
PubChem CID10962705
Molecular FormulaC38H51FSi
Molecular Weight554.91 g/mol
Exact Mass554.37
IUPAC Namefluoro-(2-phenylethynyl)-bis[2,4,6-tri(propan-2-yl)phenyl]silane
SMILESCC(C)c1cc(C(C)C)c([Si](F)(C#Cc2ccccc2)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C38H51FSi/c1-24(2)31-20-33(26(5)6)37(34(21-31)27(7)8)40(39,19-18-30-16-14-13-15-17-30)38-35(28(9)10)22-32(25(3)4)23-36(38)29(11)12/h13-17,20-29H,1-12H3
InChIKeyIZBKCCZNZSZLME-UHFFFAOYSA-N
XLogP10.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.91
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoro-(2-phenylethynyl)-bis[2,4,6-tri(propan-2-yl)phenyl]silane?
The IUPAC name of fluoro-(2-phenylethynyl)-bis[2,4,6-tri(propan-2-yl)phenyl]silane (CID 10962705) is fluoro-(2-phenylethynyl)-bis[2,4,6-tri(propan-2-yl)phenyl]silane.
What is the SMILES notation for fluoro-(2-phenylethynyl)-bis[2,4,6-tri(propan-2-yl)phenyl]silane?
The canonical SMILES for fluoro-(2-phenylethynyl)-bis[2,4,6-tri(propan-2-yl)phenyl]silane is CC(C)c1cc(C(C)C)c([Si](F)(C#Cc2ccccc2)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1.
What is the InChIKey of fluoro-(2-phenylethynyl)-bis[2,4,6-tri(propan-2-yl)phenyl]silane?
The InChIKey is IZBKCCZNZSZLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H51FSi/c1-24(2)31-20-33(26(5)6)37(34(21-31)27(7)8)40(39,19-18-30-16-14-13-15-17-30)38-35(28(9)10)22-32(25(3)4)23-36(38)29(11)12/h13-17,20-29H,1-12H3.
What are the key properties of fluoro-(2-phenylethynyl)-bis[2,4,6-tri(propan-2-yl)phenyl]silane?
fluoro-(2-phenylethynyl)-bis[2,4,6-tri(propan-2-yl)phenyl]silane has a molecular weight of 554.91 g/mol, XLogP of 10.05, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-(2-phenylethynyl)-bis[2,4,6-tri(propan-2-yl)phenyl]silane is sourced from PubChem (CID 10962705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).