125127-62-0

Basic information

• Product Name: 1-ETHYL-2-[(E)-2-(3-((E)-2-[1-ETHYLBENZO[CD]INDOL-2(1H)-YLIDENE]ETHYLIDENE)-2-PHENYL-1-CYCLOPENTEN-1-YL)ETHENYL]BENZO[CD]INDOLIUM TETRAFLUOROBORATE
• Synonyms: 1-ETHYL-2-[(E)-2-(3-((E)-2-[1-ETHYLBENZO[CD]INDOL-2(1H)-YLIDENE]ETHYLIDENE)-2-PHENYL-1-CYCLOPENTEN-1-YL)ETHENYL]BENZO[CD]INDOLIUM TETRAFLUOROBORATE;BENZ[CD]INDOLIUM, 1-ETHYL-2-[2-[3-[(1-ETHYLBENZ[CD]INDOL-2(1H)-YLIDENE)ETHYLIDENE]-2-PHENYL-1-CYCLOPENTEN-1-YL]ETHENYL]-, TETRAFLUOROBORATE(1-)
• CAS NO: 125127-62-0
• Molecular Formula: C41H35BF4N2
• Molecular Weight: 642.53
• Mol File: 125127-62-0.mol
• Article Data: 0

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1-ETHYL-2-[(E)-2-(3-((E)-2-[1-ETHYLBENZO[CD]INDOL-2(1H)-YLIDENE]ETHYLIDENE)-2-PHENYL-1-CYCLOPENTEN-1-YL)ETHENYL]BENZO[CD]INDOLIUM TETRAFLUOROBORATE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-ETHYL-2-[(E)-2-(3-((E)-2-[1-ETHYLBENZO[CD]INDOL-2(1H)-YLIDENE]ETHYLIDENE)-2-PHENYL-1-CYCLOPENTEN-1-YL)ETHENYL]BENZO[CD]INDOLIUM TETRAFLUOROBORATE(125127-62-0)
• EPA Substance Registry System: 1-ETHYL-2-[(E)-2-(3-((E)-2-[1-ETHYLBENZO[CD]INDOL-2(1H)-YLIDENE]ETHYLIDENE)-2-PHENYL-1-CYCLOPENTEN-1-YL)ETHENYL]BENZO[CD]INDOLIUM TETRAFLUOROBORATE(125127-62-0)

Safety Data

• Hazardous Substances Data: 125127-62-0(Hazardous Substances Data)

Usage

Molecular structure

The compound has a complex molecular structure with a benzoin skeleton, benzo[c,d]indolium derivative, and various substituents such as ethyl, cyclopentene, and phenyl groups attached to the benzene ring.

Double bonds

The compound has a complex arrangement of double bonds, denoted by "(E)" configuration, which indicates the presence of cis-trans isomerism and may influence its reactivity and physical properties.

Potential applications

Due to its intricate structure and potential reactivity, the compound may have applications in fields such as pharmaceuticals, dyes, and materials science. These applications could involve its use as an active pharmaceutical ingredient, a precursor to other complex molecules, or as a functional material with unique properties.

Stability

The presence of the tetrafluoroborate anion and the complex arrangement of double bonds and substituents may contribute to the compound's stability, making it suitable for various applications and chemical transformations.

Isomerism

The compound exhibits cis-trans isomerism due to the presence of double bonds with the "(E)" configuration, which may result in different physical and chemical properties depending on the spatial arrangement of the substituents.

Synthesis

The synthesis of this complex compound likely involves multiple steps and the use of various reagents to introduce the different substituents and achieve the desired molecular structure.

InChI:InChI=1/C41H35N2.BF4/c1-3-42-35(33-18-8-14-29-16-10-20-37(42)40(29)33)26-24-31-22-23-32(39(31)28-12-6-5-7-13-28)25-27-36-34-19-9-15-30-17-11-21-38(41(30)34)43(36)4-2;2-1(3,4)5/h5-21,24-27H,3-4,22-23H2,1-2H3;/q+1;-1