2,7-dibromo-9-(heptadecan-9-yl)-9H-carbazole

• ChemBase ID: 798718
• Molecular Formular: C29H41Br2N
• Molecular Mass: 563.45054
• Monoisotopic Mass: 561.16057432
• SMILES: c1(ccc2c(c1)n(c1cc(ccc21)Br)C(CCCCCCCC)CCCCCCCC)Br
• Canonical SMILES: CCCCCCCCC(n1c2cc(Br)ccc2c2c1cc(Br)cc2)CCCCCCCC
• InChI: InChI=1S/C29H41Br2N/c1-3-5-7-9-11-13-15-25(16-14-12-10-8-6-4-2)32-28-21-23(30)17-19-26(28)27-20-18-24(31)22-29(27)32/h17-22,25H,3-16H2,1-2H3
• InChIKey: HRUNMSCVUSIWQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-dibromo-9-(heptadecan-9-yl)-9H-carbazole
• IUPAC Traditional name: 2,7-dibromo-9-(heptadecan-9-yl)carbazole
• Synonyms: 2,7-dibromo-9-(1-octylnonyl)-9h-carbazole

Database IDs

• CAS Number: 955964-73-5

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 12.005319
• LogD (pH = 7.4): 12.005319
• Log P: 12.005319
• Molar Refractivity: 147.0419 cm^3
• Polarizability: 59.544582 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%