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141484-71-1 | 4,4'-Bipyridinium, 1-[10-(9H-carbazol-9-yl)decyl]-1'-propyl-, bromide (1:2)
CAS No: 141484-71-1 Catalog No: AG001GGM MDL No:
Product Description
Catalog Number:
AG001GGM
Chemical Name:
4,4'-Bipyridinium, 1-[10-(9H-carbazol-9-yl)decyl]-1'-propyl-, bromide (1:2)
CAS Number:
141484-71-1
Molecular Formula:
C35H43Br2N3
Molecular Weight:
665.5440
IUPAC Name:
9-[10-[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]decyl]carbazole;dibromide
InChI:
InChI=1S/C35H43N3.2BrH/c1-2-23-36-26-19-30(20-27-36)31-21-28-37(29-22-31)24-13-7-5-3-4-6-8-14-25-38-34-17-11-9-15-32(34)33-16-10-12-18-35(33)38;;/h9-12,15-22,26-29H,2-8,13-14,23-25H2,1H3;2*1H/q+2;;/p-2
InChI Key:
ZMDRUTCYPDDHKU-UHFFFAOYSA-L
SMILES:
CCC[n+]1ccc(cc1)c1cc[n+](cc1)CCCCCCCCCCn1c2ccccc2c2c1cccc2.[Br-].[Br-]
Properties
Complexity:
613
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
665.18g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
665.558g/mol
Monoisotopic Mass:
663.182g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
12.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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