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Catalog Number
ACM1201800830
Product Name
t2t
Structure
CAS
1201800-83-0
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
2,4,6-tris(3-phenylphenyl)-1,3,5-triazine
Molecular Weight
537.6g/mol
Molecular Formula
C39H27N3
Canonical SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)C3=NC(=NC(=N3)C4=CC=CC(=C4)C5=CC=CC=C5)C6=CC=CC(=C6)C7=CC=CC=C7
InChI
InChI=1S/C39H27N3/c1-4-13-28(14-5-1)31-19-10-22-34(25-31)37-40-38(35-23-11-20-32(26-35)29-15-6-2-7-16-29)42-39(41-37)36-24-12-21-33(27-36)30-17-8-3-9-18-30/h1-27H
InChI Key
MMNNWKCYXNXWBG-UHFFFAOYSA-N
Complexity
679
Covalently-Bonded Unit Count
1
Exact Mass
537.220498g/mol
Formal Charge
0
Heavy Atom Count
42
Monoisotopic Mass
537.220498g/mol
Rotatable Bond Count
6
XLogP3
9.8
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