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847602-85-1 | Pyridine, 2,2',2''-(1,3,5-benzenetriyl)tris[4,6-diphenyl-
CAS No: 847602-85-1 Catalog No: AG004RVV MDL No:
Product Description
Catalog Number:
AG004RVV
Chemical Name:
Pyridine, 2,2',2''-(1,3,5-benzenetriyl)tris[4,6-diphenyl-
CAS Number:
847602-85-1
Molecular Formula:
C57H39N3
Molecular Weight:
765.9397
IUPAC Name:
2-[3,5-bis(4,6-diphenylpyridin-2-yl)phenyl]-4,6-diphenylpyridine
InChI:
InChI=1S/C57H39N3/c1-7-19-40(20-8-1)46-34-52(43-25-13-4-14-26-43)58-55(37-46)49-31-50(56-38-47(41-21-9-2-10-22-41)35-53(59-56)44-27-15-5-16-28-44)33-51(32-49)57-39-48(42-23-11-3-12-24-42)36-54(60-57)45-29-17-6-18-30-45/h1-39H
InChI Key:
IBGZSYBJIPZXDV-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cc(nc(c1)c1ccccc1)c1cc(cc(c1)c1cc(cc(n1)c1ccccc1)c1ccccc1)c1cc(cc(n1)c1ccccc1)c1ccccc1
Properties
Complexity:
1080
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
765.314g/mol
Formal Charge:
0
Heavy Atom Count:
60
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
765.96g/mol
Monoisotopic Mass:
765.314g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.6
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