Dipentyl-3,3,3',3'-tetramethylindocarbocyanine

(2E)-2-[(2E,4E,6E)-7-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethyl-1-pentylindole iodide

Also Known As: Diic5(3)|4-methyloxazole-5-carbaldehyde|Dipentyl-3,3,3',3'-tetramethylindocarbocyanine|Dipentyl-3,3,3',3'-tetramethylindocarbocyanine iodide|2-(7-(1,3-Dihydro-3,3-dimethyl-1-pentyl-2H-indol-2-ylidene)-1,3,5-heptatrienyl)-3,3-dimethyl-1-pentyl-3H-indolium iodide|1,1'-DIPENTYL-3,3,3',3'-TETRAMETHYLINDOCARBOCYANINE IODIDE|(2E)-2-[(2E,4E,6E)-7-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethyl-1-pentylindole iodide|(2E)-2-[(2E,4E,6E)-7-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethyl-1-pentylindole,iodide|3H-Indolium, 2-(7-(1,3-dihydro-3,3-dimethyl-1-pentyl-2H-indol-2-ylidene)-1,3,5-heptatrienyl)-3,3-dimethyl-1-pentyl-, iodide

Molecular Formula	C37H49IN2
Molecular Weight	648.29407 g/mol
LogP	6.7975
Topological Polar Surface Area	6.25 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	1
Rotatable Bonds	12
Exact Mass	648.29407
Monoisotopic Mass	648.29407
Heavy Atoms	40
Complexity	1288.7489

Chemical Identifiers

CAS Number	53290-46-3
SMILES	CCCCCN\1C2=CC=CC=C2C(/C1=C\C=C\C=C\C=C\C3=[N+](C4=CC=CC=C4C3(C)C)CCCCC)(C)C.[I-]