5H,11H-indolo[3,2-b]carbazole-6-carbaldehyde

• ChemBase ID: 22397
• Molecular Formular: C19H12N2O
• Molecular Mass: 284.31138
• Monoisotopic Mass: 284.09496301
• SMILES: c1ccc2c(c1)c1c([nH]2)cc2c(c1C=O)[nH]c1c2cccc1
• Canonical SMILES: O=Cc1c2[nH]c3c(c2cc2c1c1ccccc1[nH]2)cccc3
• InChI: InChI=1S/C19H12N2O/c22-10-14-18-12-6-2-4-8-16(12)20-17(18)9-13-11-5-1-3-7-15(11)21-19(13)14/h1-10,20-21H
• InChIKey: ZUDXFBWDXVNRKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,11H-indolo[3,2-b]carbazole-6-carbaldehyde
• IUPAC Traditional name: 5H,11H-indolo[3,2-b]carbazole-6-carbaldehyde
• Synonyms: 6-Formylindolo[3,2-b]carbazole

Database IDs

• CAS Number: 172922-91-7
• MDL Number: MFCD02684034
• PubChem SID: 160985704
• PubChem CID: 1863

CALCULATED PROPERTIES

• Acid pKa: 13.507503
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 3.921028
• LogD (pH = 7.4): 3.9210277
• Log P: 3.921028
• Molar Refractivity: 87.4704 cm^3
• Polarizability: 38.032215 Å^3
• Polar Surface Area: 48.65 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: false

Product Information

• Purity: 97%