1-(9,9-dimethyl-9H-fluoren-2-yl)isoquinoline

• ChemBase ID: 795806
• Molecular Formular: C24H19N
• Molecular Mass: 321.41436
• Monoisotopic Mass: 321.15174961
• SMILES: c1cc2c(cc1)ccnc2c1cc2C(c3c(c2cc1)cccc3)(C)C
• Canonical SMILES: CC1(C)c2cc(ccc2c2c1cccc2)c1nccc2c1cccc2
• InChI: InChI=1S/C24H19N/c1-24(2)21-10-6-5-9-19(21)20-12-11-17(15-22(20)24)23-18-8-4-3-7-16(18)13-14-25-23/h3-15H,1-2H3
• InChIKey: UCAPEQBJBMYCNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(9,9-dimethyl-9H-fluoren-2-yl)isoquinoline
• IUPAC Traditional name: 1-(9,9-dimethylfluoren-2-yl)isoquinoline
• Synonyms: 1-(9,9-DiMethyl-9H-fluoren-2-yl)isoquinoline

Database IDs

• CAS Number: 435277-99-9

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.0621815
• LogD (pH = 7.4): 6.1300225
• Log P: 6.1309657
• Molar Refractivity: 113.449 cm^3
• Polarizability: 44.035656 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%