N,N-dibenzyl-4-[(diphenylhydrazin-1-ylidene)methyl]aniline

• ChemBase ID: 145194
• Molecular Formular: C33H29N3
• Molecular Mass: 467.60346
• Monoisotopic Mass: 467.23614794
• SMILES: c1ccc(cc1)CN(Cc1ccccc1)c1ccc(cc1)/C=N/N(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)CN(c1ccc(cc1)/C=N/N(c1ccccc1)c1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C33H29N3/c1-5-13-29(14-6-1)26-35(27-30-15-7-2-8-16-30)31-23-21-28(22-24-31)25-34-36(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-25H,26-27H2
• InChIKey: IRKBOPBCDTWDDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dibenzyl-4-[(diphenylhydrazin-1-ylidene)methyl]aniline
• IUPAC Traditional name: N,N-dibenzyl-4-[(diphenylhydrazin-1-ylidene)methyl]aniline
• Synonyms: 4-(Dibenzylamino)benzaldehyde-N,N-diphenylhydrazone; 4-(二苄基氨基)苯甲醛-N,N-二苯腙

Database IDs

• CAS Number: 85171-94-4
• MDL Number: MFCD00145074
• PubChem SID: 162239404; 24879029
• PubChem CID: 9646955

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.279859
• LogD (pH = 7.4): 8.032498
• Log P: 9.2416
• Molar Refractivity: 161.6164 cm^3
• Polarizability: 57.369804 Å^3
• Polar Surface Area: 18.84 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 148-152 °C(lit.)
• Absorption Wavelength: λmax 362 nm

Safety Information

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

Product Information

• Purity: 97%
• Linear Formula: (C6H5)2N2CHC6H4N(CH2C6H5)2

DETAILS

Sigma Aldrich - 548367

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