1T-NATA

• CAS: 185690-39-5
• Catalog Number: ACM185690395-2
• Category: Organic Light Emitting Diode (OLED)
• Molecular Weight: 897.11 g/mol
• Molecular Formula: C66H48N4
• Synonyms: 4,4',4''-Tris(N-(naphthalen-2-yl)-N-phenyl-amino)-triphenylamine
• IUPAC Name: 4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
• Canonical SMILES: C1=CC=C(C=C1)N(C2=CC=C(C=C2)N(C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC6=CC=CC=C65)C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC1=CC=CC=C19)C1=CC=CC2=CC=CC=C21
• InChI: InChI=1S/C66H48N4/c1-4-25-52(26-5-1)68(64-34-16-22-49-19-10-13-31-61(49)64)58-43-37-55(38-44-58)67(56-39-45-59(46-40-56)69(53-27-6-2-7-28-53)65-35-17-23-50-20-11-14-32-62(50)65)57-41-47-60(48-42-57)70(54-29-8-3-9-30-54)66-36-18-24-51-21-12-15-33-63(51)66/h1-48H
• InChI Key: CRHRWHRNQKPUPO-UHFFFAOYSA-N
• Complexity: 1360
• Covalently-Bonded Unit Count: 1
• Exact Mass: 896.387898g/mol
• Formal Charge: 0
• Grade: Sublimed >99% / Unsublimed >97%
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 70
• Monoisotopic Mass: 896.387898g/mol
• PL Peak: 518 nm (in THF)
• Rotatable Bond Count: 12
• TGA: >350 ℃ (0.5% weight loss)
• UV Peak: 339 nm (in THF)
• XLogP3: 18.6