9-ethyl-3-[(2-methyl-2-phenylhydrazin-1-ylidene)methyl]-9H-carbazole

• ChemBase ID: 158639
• Molecular Formular: C22H21N3
• Molecular Mass: 327.42224
• Monoisotopic Mass: 327.17354769
• SMILES: CCn1c2ccccc2c2c1ccc(c2)/C=N/N(C)c1ccccc1
• Canonical SMILES: CCn1c2ccc(cc2c2c1cccc2)/C=N/N(c1ccccc1)C
• InChI: InChI=1S/C22H21N3/c1-3-25-21-12-8-7-11-19(21)20-15-17(13-14-22(20)25)16-23-24(2)18-9-5-4-6-10-18/h4-16H,3H2,1-2H3
• InChIKey: QYXUHIZLHNDFJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-ethyl-3-[(2-methyl-2-phenylhydrazin-1-ylidene)methyl]-9H-carbazole
• IUPAC Traditional name: 9-ethyl-3-[(2-methyl-2-phenylhydrazin-1-ylidene)methyl]carbazole
• Synonyms: 9-Ethyl-3-carbazolecarboxaldehyde-N-methyl-N-phenylhydrazone

Database IDs

• CAS Number: 75232-44-9
• EC Number: 278-144-0
• MDL Number: MFCD00799310
• PubChem SID: 162252775; 24879030
• PubChem CID: 9610378

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.1724367
• LogD (pH = 7.4): 5.538267
• Log P: 5.545653
• Molar Refractivity: 115.2445 cm^3
• Polarizability: 41.983063 Å^3
• Polar Surface Area: 20.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 129-133 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C22H21N3

DETAILS

Sigma Aldrich - 548375

Application
Organic photoconductor. Charge transporting molecule for NLO applications.
Packaging
1 g in glass bottle