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Tris[4-(2-thienyl)phenyl]amine

Catalog Number
ACM142807634-2
CAS Number
142807-63-4
Product Name
Tris[4-(2-thienyl)phenyl]amine
Structure
Category
Dye-Sensitized Solar Cell (DSSC) Materials; Organic Light-Emitting Diode (OLED) Materials; Organic Solar Cell (OPV) Materials
Synonyms
Benzenamine,4-(2-Thienyl)-N,N-Bis[4-(2-Thienyl)Phenyl]-,Homopolymer
IUPAC Name
4-thiophen-2-yl-N,N-bis(4-thiophen-2-ylphenyl)aniline
Molecular Weight
491.69
Molecular Formula
C30H21NS3
Canonical SMILES
C1=CSC(=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CS4)C5=CC=C(C=C5)C6=CC=CS6
InChI
InChI=1S/C30H21NS3/c1-4-28(32-19-1)22-7-13-25(14-8-22)31(26-15-9-23(10-16-26)29-5-2-20-33-29)27-17-11-24(12-18-27)30-6-3-21-34-30/h1-21H
InChI Key
DXPFPUHRRPAXAO-UHFFFAOYSA-N
Boiling Point
139 °C
Melting Point
670.5 ± 55.0 °C
Purity
95%+
Density
1.277 ± 0.06 g/ml
Appearance
White to Almost white powder to crystal
Storage
Store under inert gas
Complexity
533
Covalently-Bonded Unit Count
1
Exact Mass
491.083613g/mol
Formal Charge
0
Hazard Statements
H413 : May cause long lasting harmful effects to aquatic life.
Heavy Atom Count
34
MDL Number
MFCD00010719
Monoisotopic Mass
491.083613g/mol
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.
Rotatable Bond Count
6
Signal Word
Warning
XLogP3
9.2
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