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142030-40-8 | 2,2':6',2''-Terpyridine, 4',4'''',4'''''''-(1,3,5-benzenetriyl)tris-
CAS No: 142030-40-8 Catalog No: AG001HL3 MDL No:
Product Description
Catalog Number:
AG001HL3
Chemical Name:
2,2':6',2''-Terpyridine, 4',4'''',4'''''''-(1,3,5-benzenetriyl)tris-
CAS Number:
142030-40-8
Molecular Formula:
C51H33N9
Molecular Weight:
771.8680
IUPAC Name:
4-[3,5-bis(2,6-dipyridin-2-ylpyridin-4-yl)phenyl]-2,6-dipyridin-2-ylpyridine
InChI:
InChI=1S/C51H33N9/c1-7-19-52-40(13-1)46-28-37(29-47(58-46)41-14-2-8-20-53-41)34-25-35(38-30-48(42-15-3-9-21-54-42)59-49(31-38)43-16-4-10-22-55-43)27-36(26-34)39-32-50(44-17-5-11-23-56-44)60-51(33-39)45-18-6-12-24-57-45/h1-33H
InChI Key:
PAJKXCKAKLJWRM-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)c1cc(cc(n1)c1ccccn1)c1cc(cc(c1)c1cc(nc(c1)c1ccccn1)c1ccccn1)c1cc(nc(c1)c1ccccn1)c1ccccn1
Properties
Complexity:
1060
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
771.286g/mol
Formal Charge:
0
Heavy Atom Count:
60
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
771.888g/mol
Monoisotopic Mass:
771.286g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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