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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

((1,1'-Biphenyl)-4-ylethynyl)trimethylsilane
CID 12579655
Benzene, 1-(4-butylcyclohexyl)-4-[(4-ethylphenyl)ethynyl]-
CID 631287
Benzene, 1-[(4-butylphenyl)ethynyl]-4-(4-propylcyclohexyl)-
CID 632157
Lithium, (mu-(1,3-phenylenebis(3-methyl-1-phenylpentylidene)))di-
CID 24939806
Lithium, (mu-(1,3-phenylenebis(3-methyl-1-(methylphenyl)pentylidene)))di-
CID 24942633
9,10-Bis[(triisopropylsilyl)ethynyl]anthracene
CID 71310996
Bromo(dimethyl)tritylsilane
CID 15830523
5P3cHPa
CID 13609019
Rel-1-ethyl-4-((4-((1s,4r)-4-pentylcyclohexyl)phenyl)ethynyl)benzene
CID 13609021
5P2cHPa
CID 23391098
4P5cHPa
CID 23391100
2P7cHPa
CID 23391114

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).