Structure

DPAVBi

CAS
119586-44-6
Catalog Number
ACM119586446
Category
Organic Light Emitting Diode (OLED)
Molecular Weight
748.99 g/mol
Molecular Formula
C56H48N2

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Specification

Synonyms
4,4'-Bis[4-(di-p-tolylamino)styryl]biphenyl
IUPAC Name
4-methyl-N-[4-[(E)-2-[4-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
Canonical SMILES
CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C=CC4=CC=C(C=C4)C5=CC=C(C=C5)C=CC6=CC=C(C=C6)N(C7=CC=C(C=C7)C)C8=CC=C(C=C8)C
InChI
InChI=1S/C56H48N2/c1-41-5-29-51(30-6-41)57(52-31-7-42(2)8-32-52)55-37-21-47(22-38-55)15-13-45-17-25-49(26-18-45)50-27-19-46(20-28-50)14-16-48-23-39-56(40-24-48)58(53-33-9-43(3)10-34-53)54-35-11-44(4)12-36-54/h5-40H,1-4H3/b15-13+,16-14+
InChI Key
OSQXTXTYKAEHQV-WXUKJITCSA-N
Boiling Point
232 - 234 °C
Melting Point
896.1 ± 65.0 °C
Density
1.154 g/ml
Complexity
1060
Covalently-Bonded Unit Count
1
Exact Mass
748.38175g/mol
Formal Charge
0
Grade
>99%
H-Bond Acceptor
2
H-Bond Donor
0
Heavy Atom Count
58
Monoisotopic Mass
748.38175g/mol
PL Peak
475 nm (in THF)
Rotatable Bond Count
11
TGA
>320 ℃ (0.5% weight loss)
UV Peak
405 nm (in THF)
XLogP3
16
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