NPNPB

• CAS: 936355-01-0
• Catalog Number: ACM936355010-1
• Category: Organic Light Emitting Diode (OLED)
• Molecular Weight: 823.03 g/mol
• Molecular Formula: C60H46N4
• Synonyms: N,N'-Diphenyl-N,N'-di-[4-(N,N-diphenyl-amino)phenyl]benzidine
• IUPAC Name: 1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
• Canonical SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=C(C=C8)N(C9=CC=CC=C9)C1=CC=CC=C1
• InChI: InChI=1S/C60H46N4/c1-7-19-49(20-8-1)61(50-21-9-2-10-22-50)57-39-43-59(44-40-57)63(53-27-15-5-16-28-53)55-35-31-47(32-36-55)48-33-37-56(38-34-48)64(54-29-17-6-18-30-54)60-45-41-58(42-46-60)62(51-23-11-3-12-24-51)52-25-13-4-14-26-52/h1-46H
• InChI Key: XOYZGLGJSAZOAG-UHFFFAOYSA-N
• Complexity: 1150
• Covalently-Bonded Unit Count: 1
• Exact Mass: 822.372247g/mol
• Formal Charge: 0
• Grade: Sublimed >99% / Unsublimed >97%
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 64
• Monoisotopic Mass: 822.372247g/mol
• PL Peak: 451 nm (in THF)
• Rotatable Bond Count: 13
• TGA: >370 ℃ (0.5% weight loss)
• UV Peak: 324 nm (in THF)
• XLogP3: 16.5