2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2h-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-1h-benz[e]indolium chloride

Base Information

• Chemical Name: 2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2h-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-1h-benz[e]indolium chloride
• CAS No.: 297173-98-9
• Molecular Formula: C40H40ClN2.Cl
• Molecular Weight: 619.67
• European Community (EC) Number: 812-517-6
• Mol file: 297173-98-9.mol

Synonyms:297173-98-9;2-[2-[2-chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2h-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-1h-benz[e]indolium chloride

Chemical Property of 2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2h-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-1h-benz[e]indolium chloride

Chemical Property:

• PSA: 6.25000
• LogP: 7.49770
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 618.2568547
• Heavy Atom Count: 44
• Complexity: 1170

Purity/Quality:

99% ^*data from raw suppliers

2-[2-[2-CHLORO-3-[2-(1,3-DIHYDRO-1,1,3-TRIMETHYL-2H-BENZO[E]INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL]ETHENYL]-1,1,3-TRIMETHYL-1H-BENZO[E]INDOLIUM CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC4=C(C(=CC=C5C(C6=C(N5C)C=CC7=CC=CC=C76)(C)C)CCC4)Cl)C.[Cl-]
• Isomeric SMILES: CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)/C=C/C4=C(/C(=C/C=C\5/C(C6=C(N5C)C=CC7=CC=CC=C76)(C)C)/CCC4)Cl)C.[Cl-]