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

• ChemBase ID: 137207
• Molecular Formular: C27H23N3
• Molecular Mass: 389.49162
• Monoisotopic Mass: 389.18919775
• SMILES: CCn1c2ccccc2c2c1ccc(c2)/C=N/N(c1ccccc1)c1ccccc1
• Canonical SMILES: CCn1c2ccc(cc2c2c1cccc2)/C=N/N(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C27H23N3/c1-2-29-26-16-10-9-15-24(26)25-19-21(17-18-27(25)29)20-28-30(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-20H,2H2,1H3
• InChIKey: CEAPHJPESODIQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(diphenylhydrazin-1-ylidene)methyl]-9-ethyl-9H-carbazole
• IUPAC Traditional name: 3-[(diphenylhydrazin-1-ylidene)methyl]-9-ethylcarbazole
• Synonyms: 9-Ethyl-3-carbazolecarboxaldehyde diphenylhydrazone; 9-乙基咔唑-3-甲醛-二苯腙

Database IDs

• CAS Number: 73276-70-7
• EC Number: 277-342-4
• MDL Number: MFCD00144879
• PubChem SID: 162231472; 24869976
• PubChem CID: 9577933

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 7.1560907
• LogD (pH = 7.4): 7.208292
• Log P: 7.209
• Molar Refractivity: 135.0221 cm^3
• Polarizability: 49.771996 Å^3
• Polar Surface Area: 20.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 156-158 °C(lit.)

Safety Information

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

Product Information

• Empirical Formula (Hill Notation): C27H23N3