α-NPD

• CAS: 495416-60-9
• Catalog Number: ACM495416609-2
• Category: Organic Light Emitting Diode (OLED)
• Molecular Weight: 616.79 g/mol
• Molecular Formula: C46H36N2
• Synonyms: N,N'-Bis(naphthalen-1-yl)-N,N'-bis(phenyl)-2,2'-dimethylbenzidine
• IUPAC Name: N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
• Canonical SMILES: CC1=C(C=CC(=C1)N(C2=CC=CC=C2)C3=CC=CC4=CC=CC=C43)C5=C(C=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC8=CC=CC=C87)C
• InChI: InChI=1S/C46H36N2/c1-33-31-39(47(37-19-5-3-6-20-37)45-25-13-17-35-15-9-11-23-43(35)45)27-29-41(33)42-30-28-40(32-34(42)2)48(38-21-7-4-8-22-38)46-26-14-18-36-16-10-12-24-44(36)46/h3-32H,1-2H3
• InChI Key: ZJFKMIYGRJGWIB-UHFFFAOYSA-N
• Complexity: 903
• Covalently-Bonded Unit Count: 1
• Exact Mass: 616.287849g/mol
• Formal Charge: 0
• Grade: Sublimed >99% / UnSublimed >98%
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 48
• Monoisotopic Mass: 616.287849g/mol
• PL Peak: 447 nm (in THF)
• Rotatable Bond Count: 7
• TGA: >310 ℃ (0.5% weight loss)
• UV Peak: 307 nm (in THF)
• XLogP3: 13.3