Dimethylindodicarbo cyanine

Catalog Number

ACM54268701-2

CAS

54268-70-1

Structure

Synonyms

DIDC,Hexacyanine2chloridesalt,1,3,3-Trimethyl-2-[5-(1,3,3-trimethyl-1,3-dihydro-indol-2-ylidene)-penta-1,3-dienyl]-3H-indoliumchloride

IUPAC Name

(2E)-1,3,3-trimethyl-2-[(2E,4E)-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indole;chloride

Molecular Weight

419.01

Molecular Formula

C27H31ClN2

Canonical SMILES

CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C/3\C(C4=CC=CC=C4N3C)(C)C)C)C.[Cl-]

InChI

InChI=1S/C27H31N2.ClH/c1-26(2)20-14-10-12-16-22(20)28(5)24(26)18-8-7-9-19-25-27(3,4)21-15-11-13-17-23(21)29(25)6;/h7-19H,1-6H3;1H/q+1;/p-1

InChI Key

KVISPVDSKYDJKS-UHFFFAOYSA-M

Purity

99%+

Appearance

Green to blue crystalline powder

Storage

Stored at RT

• Catalog Number: ACM54268701-2
• CAS: 54268-70-1
• Synonyms: DIDC,Hexacyanine2chloridesalt,1,3,3-Trimethyl-2-[5-(1,3,3-trimethyl-1,3-dihydro-indol-2-ylidene)-penta-1,3-dienyl]-3H-indoliumchloride
• IUPAC Name: (2E)-1,3,3-trimethyl-2-[(2E,4E)-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indole;chloride
• Molecular Weight: 419.01
• Molecular Formula: C27H31ClN2
• Canonical SMILES: CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C/3\C(C4=CC=CC=C4N3C)(C)C)C)C.[Cl-]
• InChI: InChI=1S/C27H31N2.ClH/c1-26(2)20-14-10-12-16-22(20)28(5)24(26)18-8-7-9-19-25-27(3,4)21-15-11-13-17-23(21)29(25)6;/h7-19H,1-6H3;1H/q+1;/p-1
• InChI Key: KVISPVDSKYDJKS-UHFFFAOYSA-M
• Purity: 99%+
• Appearance: Green to blue crystalline powder
• Storage: Stored at RT