2-[4-[3,4-bis(2-trimethylsilylethynyl)phenyl]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane

C32H42Si4 — CID 5249685

IUPAC2-[4-[3,4-bis(2-trimethylsilylethynyl)phenyl]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccc(-c2ccc(C#C[Si](C)(C)C)c(C#C[Si](C)(C)C)c2)cc1C#C[Si](C)(C)C
InChIInChI=1S/C32H42Si4/c1-33(2,3)21-17-27-13-15-29(25-31(27)19-23-35(7,8)9)30-16-14-28(18-22-34(4,5)6)32(26-30)20-24-36(10,11)12/h13-16,25-26H,1-12H3
InChIKeyURRGLOMZNSZWSY-UHFFFAOYSA-N
MW539.03 g/mol
LogP8.27
Rot. Bonds1

About 2-[4-[3,4-bis(2-trimethylsilylethynyl)phenyl]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane

2-[4-[3,4-bis(2-trimethylsilylethynyl)phenyl]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane (PubChem CID 5249685) has the molecular formula C32H42Si4 and a molecular weight of 539.03 g/mol. Its IUPAC name is 2-[4-[3,4-bis(2-trimethylsilylethynyl)phenyl]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[4-[3,4-bis(2-trimethylsilylethynyl)phenyl]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
PubChem CID5249685
Molecular FormulaC32H42Si4
Molecular Weight539.03 g/mol
Exact Mass538.24
IUPAC Name2-[4-[3,4-bis(2-trimethylsilylethynyl)phenyl]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccc(-c2ccc(C#C[Si](C)(C)C)c(C#C[Si](C)(C)C)c2)cc1C#C[Si](C)(C)C
InChIInChI=1S/C32H42Si4/c1-33(2,3)21-17-27-13-15-29(25-31(27)19-23-35(7,8)9)30-16-14-28(18-22-34(4,5)6)32(26-30)20-24-36(10,11)12/h13-16,25-26H,1-12H3
InChIKeyURRGLOMZNSZWSY-UHFFFAOYSA-N
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.03
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[4-[3,4-bis(2-trimethylsilylethynyl)phenyl]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3,4-bis(2-trimethylsilylethynyl)phenyl]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[4-[3,4-bis(2-trimethylsilylethynyl)phenyl]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane (CID 5249685) is 2-[4-[3,4-bis(2-trimethylsilylethynyl)phenyl]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[4-[3,4-bis(2-trimethylsilylethynyl)phenyl]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[4-[3,4-bis(2-trimethylsilylethynyl)phenyl]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1ccc(-c2ccc(C#C[Si](C)(C)C)c(C#C[Si](C)(C)C)c2)cc1C#C[Si](C)(C)C.
What is the InChIKey of 2-[4-[3,4-bis(2-trimethylsilylethynyl)phenyl]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane?
The InChIKey is URRGLOMZNSZWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42Si4/c1-33(2,3)21-17-27-13-15-29(25-31(27)19-23-35(7,8)9)30-16-14-28(18-22-34(4,5)6)32(26-30)20-24-36(10,11)12/h13-16,25-26H,1-12H3.
What are the key properties of 2-[4-[3,4-bis(2-trimethylsilylethynyl)phenyl]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane?
2-[4-[3,4-bis(2-trimethylsilylethynyl)phenyl]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane has a molecular weight of 539.03 g/mol, XLogP of 8.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3,4-bis(2-trimethylsilylethynyl)phenyl]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane is sourced from PubChem (CID 5249685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).