1,1-Diethyl-2,2-dicarbocyanine iodide

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Catalog Number
ACM14187316
Product Name
1,1-Diethyl-2,2-dicarbocyanine iodide
Structure
Structure
CAS
14187-31-6
Category
Organic & Printed Electronics
Synonyms
1-ethyl-2-[5-(1-ethyl-2(1h)-quinolinylidene)-1,3-pentadienyl]-quinoliniuio;1,1-DIETHYL-2,2-DICARBOCYANINE IODIDE;1-ethyl-2-[5-(1-ethyl-2(1H)-quinolylidene)penta-1,3-dienyl]quinolinium iodide;1,1-Diethyl-2,2-quinodicarbocyanine iodide;1,1-DIETHYL-2,2-DICAR
IUPAC Name
(2E)-1-ethyl-2-[(2E,4E)-5-(1-ethylquinolin-1-ium-2-yl)penta-2,4-dienylidene]quinoline;iodide
Molecular Weight
506.4g/mol
Molecular Formula
C27H27IN2
Canonical SMILES
CCN1C(=CC=CC=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41.[I-]
InChI
InChI=1S/C27H27N2.HI/c1-3-28-24(20-18-22-12-8-10-16-26(22)28)14-6-5-7-15-25-21-19-23-13-9-11-17-27(23)29(25)4-2;/h5-21H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key
ZFYDGPJXMYCXNV-UHFFFAOYSA-M
Complexity
591
Covalently-Bonded Unit Count
2
EC Number
238-040-8
Exact Mass
506.1219g/mol
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
0
Heavy Atom Count
30
Monoisotopic Mass
506.1219g/mol
Rotatable Bond Count
5
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