9-(prop-2-yn-1-yl)-9H-carbazole

• ChemBase ID: 271799
• Molecular Formular: C15H11N
• Molecular Mass: 205.25454
• Monoisotopic Mass: 205.08914936
• SMILES: n1(c2c(c3c1cccc3)cccc2)CC#C
• Canonical SMILES: C#CCn1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C15H11N/c1-2-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h1,3-10H,11H2
• InChIKey: LIBFASXXGGLDFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(prop-2-yn-1-yl)-9H-carbazole
• IUPAC Traditional name: 9-(prop-2-yn-1-yl)carbazole
• Synonyms: 9-(prop-2-yn-1-yl)-9H-carbazole

Database IDs

• MDL Number: MFCD00227692
• PubChem SID: 164327709
• PubChem CID: 284443

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5426447
• LogD (pH = 7.4): 3.5426447
• Log P: 3.5426447
• Molar Refractivity: 65.9491 cm^3
• Polarizability: 27.74221 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 103 - 105°C
• Hydrophobicity(logP): 4.082

Product Information

• Purity: 95%