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876014-06-1 | Pyridinium, 4,4'-(1,4-phenylene)bis[1-(4-aminophenyl)-
CAS No: 876014-06-1 Catalog No: AG004PJP MDL No:
Product Description
Catalog Number:
AG004PJP
Chemical Name:
Pyridinium, 4,4'-(1,4-phenylene)bis[1-(4-aminophenyl)-
CAS Number:
876014-06-1
Molecular Formula:
C28H24N4++
Molecular Weight:
416.5170
IUPAC Name:
4-[4-[4-[1-(4-aminophenyl)pyridin-1-ium-4-yl]phenyl]pyridin-1-ium-1-yl]aniline
InChI:
InChI=1S/C28H23N4/c29-25-5-9-27(10-6-25)31-17-13-23(14-18-31)21-1-2-22(4-3-21)24-15-19-32(20-16-24)28-11-7-26(30)8-12-28/h1-20,29H,30H2/q+1/p+1
InChI Key:
GBFKGEYNIRQUKW-UHFFFAOYSA-O
SMILES:
Nc1ccc(cc1)[n+]1ccc(cc1)c1ccc(cc1)c1cc[n+](cc1)c1ccc(cc1)N
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.2g/mol
Formal Charge:
2
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
416.528g/mol
Monoisotopic Mass:
416.2g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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