5H,11H-indolo[3,2-b]carbazole

• ChemBase ID: 22396
• Molecular Formular: C18H12N2
• Molecular Mass: 256.30128
• Monoisotopic Mass: 256.10004839
• SMILES: c1ccc2c(c1)c1c([nH]2)cc2c(c1)[nH]c1c2cccc1
• Canonical SMILES: c1ccc2c(c1)c1cc3[nH]c4c(c3cc1[nH]2)cccc4
• InChI: InChI=1S/C18H12N2/c1-3-7-15-11(5-1)13-9-18-14(10-17(13)19-15)12-6-2-4-8-16(12)20-18/h1-10,19-20H
• InChIKey: YCPBCVTUBBBNJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,11H-indolo[3,2-b]carbazole
• IUPAC Traditional name: 5H,11H-indolo[3,2-b]carbazole
• Synonyms: Indolo[3,2-b]carbazole

Database IDs

• CAS Number: 6336-32-9
• MDL Number: MFCD09879263
• PubChem SID: 160985703
• PubChem CID: 95838

CALCULATED PROPERTIES

• Acid pKa: 14.391303
• H Acceptors: 0
• H Donor: 2
• LogD (pH = 5.5): 4.2085257
• LogD (pH = 7.4): 4.2085257
• Log P: 4.2085257
• Molar Refractivity: 80.8864 cm^3
• Polarizability: 36.301723 Å^3
• Polar Surface Area: 31.58 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: false

Product Information

• Purity: 97%