RefChem:95830

4-methylbenzenesulfonate;3-[2-phenyl-3-[2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium-2-yl)ethenyl]indol-1-yl]propanenitrile

Also Known As: EINECS 264-397-4|2-(2-(1-(2-Cyanoethyl)-2-phenyl-1H-indol-3-yl)vinyl)-1,3,3-trimethyl-3H-pyrrolo(2,3-b)pyridinium toluene-p-sulphonate|Pentanediamide,N,N'-dioctadecyl-2-[(1-oxohexyl)amino]-,(S)|3H-Pyrrolo(2,3-b)pyridinium, 2-(2-(1-(2-cyanoethyl)-2-phenyl-1H-indol-3-yl)ethenyl)-1,3,3-trimethyl-, 4-methylbenzenesulfonate (1:1)|3H-Pyrrolo(2,3-b)pyridinium, 2-(2-(1-(2-cyanoethyl)-2-phenyl-1H-indol-3-yl)ethenyl)-1,3,3-trimethyl-, salt with 4-methylbenzenesulfonic acid (1:1)|3H-Pyrrolo[2,3-b]pyridinium, 2-[2-[1-(2-cyanoethyl)-2-phenyl-1H-indol-3-yl]ethenyl]-1,3,3-trimethyl-, salt with 4-methylbenzenesulfonic acid (1:1)|2-[2-[1-(2-cyanoethyl)-2-phenyl-1H-indol-3-yl]vinyl]-1,3,3-trimethyl-3H-pyrrolo[2,3-b]pyridinium toluene-p-sulphonate|3H-Pyrrolo[2,3-b]pyridinium, 2-[2-[1-(2-cyanoethyl)-2-phenyl-1H-indol-3-yl]ethenyl]-1,3,3-trimethyl-, 4-methylbenzenesulfonate (1:1)|4-methylbenzenesulfonate,3-[2-phenyl-3-[2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]indol-1-ium-1-yl]propanenitrile

Molecular Formula	C36H34N4O3S
Molecular Weight	602.23517 g/mol
LogP	7.24
Topological Polar Surface Area	101.82 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	602.23517
Heavy Atoms	44
Complexity	2033.2

Chemical Identifiers

CAS Number	63665-91-8
SMILES	CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C2=C(N=CC=C2)[N+](=C1C=CC3=C(N(C4=CC=CC=C43)CCC#N)C5=CC=CC=C5)C)C