TPB3

• Catalog Number: ACM349666257-1
• Product Name: TPB3
• CAS: 349666-25-7
• Category: Organic Light Emitting Diode (OLED)
• Synonyms: 1,3,5-Tri(pyren-1-yl)benzene
• IUPAC Name: 1-[3,5-di(pyren-1-yl)phenyl]pyrene
• Molecular Weight: 678.81 g/mol
• Molecular Formula: C54H30
• Canonical SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C5=CC(=CC(=C5)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
• InChI: InChI=1S/C54H30/c1-4-31-10-13-37-16-22-43(46-25-19-34(7-1)49(31)52(37)46)40-28-41(44-23-17-38-14-11-32-5-2-8-35-20-26-47(44)53(38)50(32)35)30-42(29-40)45-24-18-39-15-12-33-6-3-9-36-21-27-48(45)54(39)51(33)36/h1-30H
• InChI Key: HDMYKJVSQIHZLM-UHFFFAOYSA-N
• Complexity: 1190
• Covalently-Bonded Unit Count: 1
• Exact Mass: 678.234751g/mol
• Formal Charge: 0
• Grade: Sublimed >95%
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 54
• Monoisotopic Mass: 678.234751g/mol
• PL Peak: 388 nm (in THF)
• Rotatable Bond Count: 3
• TGA: >360 ℃ (0.5% weight loss)
• UV Peak: 280, 352 nm (in THF)
• XLogP3: 16.1