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Home > Pyridines > 830356-27-9
830356-27-9 | 4,4'-Bipyridinium, 1-[10-(9H-carbazol-9-yl)decyl]-1'-methyl-, dichloride
CAS No: 830356-27-9 Catalog No: AG004X5C MDL No:
Product Description
Catalog Number:
AG004X5C
Chemical Name:
4,4'-Bipyridinium, 1-[10-(9H-carbazol-9-yl)decyl]-1'-methyl-, dichloride
CAS Number:
830356-27-9
Molecular Formula:
C33H39Cl2N3
Molecular Weight:
548.5889
IUPAC Name:
9-[10-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]decyl]carbazole;dichloride
InChI:
InChI=1S/C33H39N3.2ClH/c1-34-24-18-28(19-25-34)29-20-26-35(27-21-29)22-12-6-4-2-3-5-7-13-23-36-32-16-10-8-14-30(32)31-15-9-11-17-33(31)36;;/h8-11,14-21,24-27H,2-7,12-13,22-23H2,1H3;2*1H/q+2;;/p-2
InChI Key:
DOTUZBKMKRQKOA-UHFFFAOYSA-L
SMILES:
C[n+]1ccc(cc1)c1cc[n+](cc1)CCCCCCCCCCn1c2ccccc2c2c1cccc2.[Cl-].[Cl-]
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
547.252g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
548.596g/mol
Monoisotopic Mass:
547.252g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
12.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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