HITCI

Catalog Number

ACM19764966-2

CAS

19764-96-6

Structure

Synonyms

Hexacyanine3,HITCiodide,HTCiodide,LC8500,1,1',3,3,3',3'-Hexamethylindotricarbocyanineiodide,2-[7-(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-1,3,3-trimethyl-3H-indoliumiodide

IUPAC Name

1,3,3-trimethyl-2-[7-(1,3,3-trimethylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]indole;iodide

Molecular Weight

536.49

Molecular Formula

C29H33IN2

Canonical SMILES

CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=CC=C3C(C4=CC=CC=C4N3C)(C)C)C)C.[I-]

InChI

InChI=1S/C29H33N2.HI/c1-28(2)22-16-12-14-18-24(22)30(5)26(28)20-10-8-7-9-11-21-27-29(3,4)23-17-13-15-19-25(23)31(27)6;/h7-21H,1-6H3;1H/q+1;/p-1

InChI Key

JKXWXYURKUEZHV-UHFFFAOYSA-M

Melting Point

198 °C

Purity

98%+

Appearance

Brown crystalline solid

Storage

Stored at RT

• Catalog Number: ACM19764966-2
• CAS: 19764-96-6
• Synonyms: Hexacyanine3,HITCiodide,HTCiodide,LC8500,1,1',3,3,3',3'-Hexamethylindotricarbocyanineiodide,2-[7-(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-1,3,3-trimethyl-3H-indoliumiodide
• IUPAC Name: 1,3,3-trimethyl-2-[7-(1,3,3-trimethylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]indole;iodide
• Molecular Weight: 536.49
• Molecular Formula: C29H33IN2
• Canonical SMILES: CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=CC=C3C(C4=CC=CC=C4N3C)(C)C)C)C.[I-]
• InChI: InChI=1S/C29H33N2.HI/c1-28(2)22-16-12-14-18-24(22)30(5)26(28)20-10-8-7-9-11-21-27-29(3,4)23-17-13-15-19-25(23)31(27)6;/h7-21H,1-6H3;1H/q+1;/p-1
• InChI Key: JKXWXYURKUEZHV-UHFFFAOYSA-M
• Melting Point: 198 °C
• Purity: 98%+
• Appearance: Brown crystalline solid
• Storage: Stored at RT