N1,N4-bis(naphthalen-2-yl)benzene-1,4-diamine

• ChemBase ID: 797381
• Molecular Formular: C26H20N2
• Molecular Mass: 360.4504
• Monoisotopic Mass: 360.16264865
• SMILES: c1(ccc(cc1)Nc1ccc2c(cccc2)c1)Nc1ccc2c(cccc2)c1
• Canonical SMILES: c1ccc2c(c1)cc(cc2)Nc1ccc(cc1)Nc1ccc2c(c1)cccc2
• InChI: InChI=1S/C26H20N2/c1-3-7-21-17-25(11-9-19(21)5-1)27-23-13-15-24(16-14-23)28-26-12-10-20-6-2-4-8-22(20)18-26/h1-18,27-28H
• InChIKey: VETPHHXZEJAYOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N1,N4-bis(naphthalen-2-yl)benzene-1,4-diamine
• IUPAC Traditional name: diafen NN
• Synonyms: N1,N4-Di(naphthalen-2-yl)benzene-1,4-diaMine

Database IDs

• CAS Number: 93-46-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 6.8318567
• LogD (pH = 7.4): 6.8320484
• Log P: 6.832051
• Molar Refractivity: 115.9308 cm^3
• Polarizability: 47.13986 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%