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4-?[3-?(2-?Triphenylenyl)?Phenyl]?-Dibenzothiophene

Catalog Number
ACM1115639901
CAS Number
1115639-90-1
Product Name
4-?[3-?(2-?Triphenylenyl)?Phenyl]?-Dibenzothiophene
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
4-(3-triphenylen-2-ylphenyl)dibenzothiophene
Molecular Weight
486.6g/mol
Molecular Formula
C36H22S
Canonical SMILES
C1=CC=C2C(=C1)C3=C(C=C(C=C3)C4=CC(=CC=C4)C5=CC=CC6=C5SC7=CC=CC=C67)C8=CC=CC=C28
InChI
InChI=1S/C36H22S/c1-2-13-29-27(11-1)28-12-3-4-14-30(28)34-22-24(19-20-31(29)34)23-9-7-10-25(21-23)26-16-8-17-33-32-15-5-6-18-35(32)37-36(26)33/h1-22H
InChI Key
QKVWPNRUXZYLQV-UHFFFAOYSA-N
Complexity
790
Covalently-Bonded Unit Count
1
Exact Mass
486.144222g/mol
Formal Charge
0
Heavy Atom Count
37
Monoisotopic Mass
486.144222g/mol
Rotatable Bond Count
2
XLogP3
10.5
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