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169454-17-5 | 2-((E)-3-[1-(3-[[3-(DIMETHYL(3-[4-[(E)-3-(3-METHYL-1,3-BENZOTHIAZOL-3-IUM-2-YL)-2-PROPENYLIDENE]-1(4H)-PYRIDINYL]PROPYL)AMMONIO)PROPYL](DIMETHYL)AMMONIO]PROPYL)-4(1H)-PYRIDINYLIDENE]-1-PROPENYL)-3-METHYL-1,3-BENZOTHIAZOL-3-IUM TETRAIODIDE
CAS No: 169454-17-5 Catalog No: AG00AYLF MDL No:
Product Description
Catalog Number:
AG00AYLF
Chemical Name:
2-((E)-3-[1-(3-[[3-(DIMETHYL(3-[4-[(E)-3-(3-METHYL-1,3-BENZOTHIAZOL-3-IUM-2-YL)-2-PROPENYLIDENE]-1(4H)-PYRIDINYL]PROPYL)AMMONIO)PROPYL](DIMETHYL)AMMONIO]PROPYL)-4(1H)-PYRIDINYLIDENE]-1-PROPENYL)-3-METHYL-1,3-BENZOTHIAZOL-3-IUM TETRAIODIDE
CAS Number:
169454-17-5
IUPAC Name:
3-[dimethyl-[3-[4-[(E,3E)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]pyridin-1-ium-1-yl]propyl]azaniumyl]propyl-dimethyl-[3-[4-[(E,3Z)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]pyridin-1-ium-1-yl]propyl]azanium;tetraiodide
InChI:
InChI=1S/C45H58N6S2.4HI/c1-46-40-18-7-9-20-42(40)52-44(46)22-11-16-38-24-30-48(31-25-38)28-13-34-50(3,4)36-15-37-51(5,6)35-14-29-49-32-26-39(27-33-49)17-12-23-45-47(2)41-19-8-10-21-43(41)53-45;;;;/h7-12,16-27,30-33H,13-15,28-29,34-37H2,1-6H3;4*1H/q+4;;;;/p-4
InChI Key:
UIZZRDIAIPYKJZ-UHFFFAOYSA-J
Properties
Complexity:
1150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
4
Exact Mass:
1254.034g/mol
Formal Charge:
0
Heavy Atom Count:
57
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1254.739g/mol
Monoisotopic Mass:
1254.034g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Self-assembled quantum dot-sensitized multivalent DNA photonic wires. | Journal of the American Chemical Society 20101229 |
| Formation of stable BOBO-3 H-aggregate complexes hinders DNA hybridization. | The journal of physical chemistry. B 20100715 |
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