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4,6-Bis(3,5-di-3-pyridylphenyl)-2-methylpyrimidine

Catalog Number
ACM925425963-1
CAS Number
925425-96-3
Product Name
4,6-Bis(3,5-di-3-pyridylphenyl)-2-methylpyrimidine
Structure
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine
Molecular Weight
554.6g/mol
Molecular Formula
C37H26N6
Canonical SMILES
CC1=NC(=CC(=N1)C2=CC(=CC(=C2)C3=CN=CC=C3)C4=CN=CC=C4)C5=CC(=CC(=C5)C6=CN=CC=C6)C7=CN=CC=C7
InChI
InChI=1S/C37H26N6/c1-25-42-36(34-16-30(26-6-2-10-38-21-26)14-31(17-34)27-7-3-11-39-22-27)20-37(43-25)35-18-32(28-8-4-12-40-23-28)15-33(19-35)29-9-5-13-41-24-29/h2-24H,1H3
InChI Key
XIVCFIYEIZBYMX-UHFFFAOYSA-N
Complexity
735
Covalently-Bonded Unit Count
1
Exact Mass
554.221895g/mol
Formal Charge
0
Heavy Atom Count
43
Monoisotopic Mass
554.221895g/mol
Rotatable Bond Count
6
XLogP3
6.2
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