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1,3,5-Tris(4-biphenylyl)benzene

Catalog Number
ACM6326643-1
CAS Number
6326-64-3
Product Name
1,3,5-Tris(4-biphenylyl)benzene
Category
Organic Light-Emitting Diode (OLED) Materials
Synonyms
5''-([1,1'-Biphenyl]-4-yl)-1,1':4',1'':3'',1''':4''',1''''-quinquephenyl
IUPAC Name
1,3,5-tris(4-phenylphenyl)benzene
Molecular Weight
534.70
Molecular Formula
C42H30
Canonical SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=CC(=C3)C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC=CC=C7
InChI
InChI=1S/C42H30/c1-4-10-31(11-5-1)34-16-22-37(23-17-34)40-28-41(38-24-18-35(19-25-38)32-12-6-2-7-13-32)30-42(29-40)39-26-20-36(21-27-39)33-14-8-3-9-15-33/h1-30H
InChI Key
MUVSTFBKPNZCNI-UHFFFAOYSA-N
Boiling Point
230 - 231 °C
Melting Point
752.0 ± 55.0 °C
Purity
95%+
Density
1.111 ± 0.06 g/ml
Appearance
White to Light yellow powder to crystal
Complexity
639
Covalently-Bonded Unit Count
1
Exact Mass
534.234751g/mol
Formal Charge
0
Heavy Atom Count
42
Monoisotopic Mass
534.234751g/mol
NSC Number
30664
Rotatable Bond Count
6
XLogP3
11.7
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