Hexakis((4-hexylphenyl)ethynyl)benzene
TL;DR: Hexakis((4-hexylphenyl)ethynyl)benzene (CAS 125594-06-1) is a chemical compound with molecular formula C90H102 and molecular weight 1182.7981 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3,4,5,6-hexakis[2-(4-hexylphenyl)ethynyl]benzene
Also Known As: Hexakis((4-hexylphenyl)ethynyl)benzene, Hexakis[(4-hexylphenyl)ethynyl]benzene, Hexakis<(4-hexylphenyl)ethinyl>benzol, hexakis[2-(4-hexylphenyl)ethynyl]benzene, 1,2,3,4,5,6-hexakis[2-(4-hexylphenyl)ethynyl]benzene
Technical Specifications
| Molecular Formula | C90H102 |
| Molecular Weight | 1182.7981 g/mol |
| XLogP | 31.8 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 42 |
| Exact Mass | 1182.7981 Da |
| Heavy Atoms | 90 |
| Complexity | 1880.0 |
| SMILES | CCCCCCC1=CC=C(C=C1)C#CC2=C(C(=C(C(=C2C#CC3=CC=C(C=C3)CCCCCC)C#CC4=CC=C(C=C4)CCCCCC)C#CC5=CC=C(C=C5)CCCCCC)C#CC6=CC=C(C=C6)CCCCCC)C#CC7=CC=C(C=C7)CCCCCC |
| InChIKey | RUDSASZJJSRJTL-UHFFFAOYSA-N |
Chemical Property Profile of Hexakis((4-hexylphenyl)ethynyl)benzene
Property Insights of Hexakis((4-hexylphenyl)ethynyl)benzene
The XLogP value of 31.8 indicates that Hexakis((4-hexylphenyl)ethynyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Hexakis((4-hexylphenyl)ethynyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexakis((4-hexylphenyl)ethynyl)benzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Hexakis((4-hexylphenyl)ethynyl)benzene?
The CAS number of Hexakis((4-hexylphenyl)ethynyl)benzene is 125594-06-1.
What is the molecular formula of Hexakis((4-hexylphenyl)ethynyl)benzene?
The molecular formula of Hexakis((4-hexylphenyl)ethynyl)benzene is C90H102.
What is the molecular weight of Hexakis((4-hexylphenyl)ethynyl)benzene?
The molecular weight of Hexakis((4-hexylphenyl)ethynyl)benzene is 1182.7981 g/mol.
Where can I buy Hexakis((4-hexylphenyl)ethynyl)benzene?
You can request a quote for Hexakis((4-hexylphenyl)ethynyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexakis((4-hexylphenyl)ethynyl)benzene?
Yes, CoreyChem provides custom synthesis services for Hexakis((4-hexylphenyl)ethynyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.