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B3PYMPM

CAS No.:
925425-96-3
Catalog Number:
AG00H14H
Molecular Formula:
C37H26N6
Molecular Weight:
554.6425
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Product Description
Catalog Number:
AG00H14H
Chemical Name:
B3PYMPM
CAS Number:
925425-96-3
Molecular Formula:
C37H26N6
Molecular Weight:
554.6425
MDL Number:
MFCD28369280
IUPAC Name:
4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine
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
SMILES:
Cc1nc(cc(n1)c1cc(cc(c1)c1cccnc1)c1cccnc1)c1cc(cc(c1)c1cccnc1)c1cccnc1
Properties
Complexity:
735  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
554.222g/mol
Formal Charge:
0
Heavy Atom Count:
43  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
554.657g/mol
Monoisotopic Mass:
554.222g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2  
Properties