N,N-dimethyl-4-(2-{4-[2-(trimethylsilyl)ethynyl]phenyl}ethynyl)aniline

• ChemBase ID: 291797
• Molecular Formular: C21H23NSi
• Molecular Mass: 317.49952
• Monoisotopic Mass: 317.15997627
• SMILES: C[Si](C#Cc1ccc(C#Cc2ccc(cc2)N(C)C)cc1)(C)C
• Canonical SMILES: CN(c1ccc(cc1)C#Cc1ccc(cc1)C#C[Si](C)(C)C)C
• InChI: InChI=1S/C21H23NSi/c1-22(2)21-14-12-19(13-15-21)7-6-18-8-10-20(11-9-18)16-17-23(3,4)5/h8-15H,1-5H3
• InChIKey: ZCQWTHLKBYTNNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-(2-{4-[2-(trimethylsilyl)ethynyl]phenyl}ethynyl)aniline
• IUPAC Traditional name: N,N-dimethyl-4-(2-{4-[2-(trimethylsilyl)ethynyl]phenyl}ethynyl)aniline
• Synonyms: N,N-Dimethyl-4-((4-((trimethylsilyl)ethynyl)phenyl)ethynyl)aniline

Database IDs

• CAS Number: 910467-59-3
• PubChem SID: 180677328
• PubChem CID: 11843522

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.221382
• LogD (pH = 7.4): 6.2961583
• Log P: 6.2972
• Molar Refractivity: 88.5598 cm^3
• Polarizability: 38.41254 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%