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Catalog Number
ACM1092356369-2
Product Name
tptpa
Structure
CAS
1092356-36-9
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
4-(4-thiophen-2-ylphenyl)-N,N-bis[4-(4-thiophen-2-ylphenyl)phenyl]aniline
Molecular Weight
720g/mol
Molecular Formula
C48H33NS3
Canonical SMILES
C1=CSC(=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CC=CS6)C7=CC=C(C=C7)C8=CC=C(C=C8)C9=CC=CS9
InChI
InChI=1S/C48H33NS3/c1-4-46(50-31-1)40-13-7-34(8-14-40)37-19-25-43(26-20-37)49(44-27-21-38(22-28-44)35-9-15-41(16-10-35)47-5-2-32-51-47)45-29-23-39(24-30-45)36-11-17-42(18-12-36)48-6-3-33-52-48/h1-33H
InChI Key
STWJEWBEHUGXTL-UHFFFAOYSA-N
Complexity
916
Covalently-Bonded Unit Count
1
Exact Mass
719.177514g/mol
Formal Charge
0
Heavy Atom Count
52
Monoisotopic Mass
719.177514g/mol
Rotatable Bond Count
9
XLogP3
14.1
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