3-(3-Aminopropyl)-2-{(E)-2-[(3E)-3-{(2E)-2-[3-(3-Aminopropyl)-1,1-Dimethyl-1,3-Dihydro-2H-Benzo[E]Indol-2-Ylidene]Ethylidene}-2-Chloro-1-Cyclohexen-1-Yl]Vinyl}-1,1-Dimethyl-1H-Benzo[E]Indolium Bromide Hydrobromide (1:1:2)
[CAS# 162411-30-5]

Identification

• Name: 3-(3-Aminopropyl)-2-{(E)-2-[(3E)-3-{(2E)-2-[3-(3-Aminopropyl)-1,1-Dimethyl-1,3-Dihydro-2H-Benzo[E]Indol-2-Ylidene]Ethylidene}-2-Chloro-1-Cyclohexen-1-Yl]Vinyl}-1,1-Dimethyl-1H-Benzo[E]Indolium Bromide Hydrobromide (1:1:2)
• Synonyms: 1,1′-Bis(3-aminopropyl)-11-chloro-4,5:4′,5′-dibenzo-3,3,3′,3′-tetramethyl-10,12-trimethylenindotricarbocyanine bromide dihydrobromide; NIR 5c
• Molecular Formula: C₄₄H₅₂Br₃ClN₄
• Molecular Weight: 912.08
• CAS Registry Number: 162411-30-5
• SMILES: [Br-].Br.Br.Cl/C/4=C(\C=C\C3=[N+](\c2ccc1c(cccc1)c2C3(C)C)CCCN)CCCC\4=C\C=C7\N(c6ccc5ccccc5c6C7(C)C)CCCN
• InChI: 1S/C44H50ClN4.3BrH/c1-43(2)38(48(28-10-26-46)36-22-18-30-12-5-7-16-34(30)40(36)43)24-20-32-14-9-15-33(42(32)45)21-25-39-44(3,4)41-35-17-8-6-13-31(35)19-23-37(41)49(39)29-11-27-47;;;/h5-8,12-13,16-25H,9-11,14-15,26-29,46-47H2,1-4H3;3*1H/q+1;;;/p-1
• InChIKey: PHRDMCWGSHZZAU-UHFFFAOYSA-M

Properties

• Refractive index: (Cal.)