Catalog Number
ACM1289375525-1
Product Name
1-Butyl-2-(2-[3-[2-(1-butyl-1H-benzo[cd]indol-2-ylidene)-ethylidene]-2-diphenylamino-cyclopent-1-enyl]-vinyl)-benzo[cd]indolium tetrafluoroborate
Category
Solvent Soluble Cyanine Dyes
IUPAC Name
N-[(5E)-2-[(E)-2-(1-butylbenzo[cd]indol-1-ium-2-yl)ethenyl]-5-[(2E)-2-(1-butylbenzo[cd]indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;tetrafluoroborate
Molecular Formula
C51H48BF4N3
Canonical SMILES
[B-](F)(F)(F)F.CCCCN1C2=CC=CC3=C2C(=CC=C3)C1=CC=C4CCC(=C4N(C5=CC=CC=C5)C6=CC=CC=C6)C=CC7=[N+](C8=CC=CC9=C8C7=CC=C9)CCCC
InChI
InChI=1S/C51H48N3.BF4/c1-3-5-35-52-45(43-25-13-17-37-19-15-27-47(52)49(37)43)33-31-39-29-30-40(51(39)54(41-21-9-7-10-22-41)42-23-11-8-12-24-42)32-34-46-44-26-14-18-38-20-16-28-48(50(38)44)53(46)36-6-4-2;2-1(3,4)5/h7-28,31-34H,3-6,29-30,35-36H2,1-2H3;/q+1;-1
InChI Key
NWWKHGFYGMANNH-UHFFFAOYSA-N
Isomeric SMILES
[B-](F)(F)(F)F.CCCCN\1C2=CC=CC3=C2C(=CC=C3)/C1=C\C=C\4/CCC(=C4N(C5=CC=CC=C5)C6=CC=CC=C6)/C=C/C7=[N+](C8=CC=CC9=C8C7=CC=C9)CCCC