2-[2-[2-Chloro-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole

Base Information

• Chemical Name: 2-[2-[2-Chloro-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole
• CAS No.: 439859-04-8
• Molecular Formula: C32H36BClF4N2
• Molecular Weight: 570.9
• DSSTox Substance ID: DTXSID90349632
• Nikkaji Number: J1.345.043I,J859.256J,J2.458.788F
• Mol file: 439859-04-8.mol

Synonyms:2-[2-[2-chloro-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;SCHEMBL766931;DTXSID90349632;2-(2-(2-chloro-3-(2-(1,3-dihydro-1,3,3-trimethyl-2h-indol-2-ylidene)-ethylidene)-1-cyclohexen-1-yl)-ethenyl)-1,3,3-trimethyl-3h-indolium tosylate

Chemical Property of 2-[2-[2-Chloro-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole

Chemical Property:

• PSA: 6.25000
• LogP: 9.48730
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 483.2567019
• Heavy Atom Count: 35
• Complexity: 931

Purity/Quality:

98%Min ^*data from raw suppliers

2-(2-(2-CHLORO-3-(2-(1,3,3-TRIMETHYL-2,3-DIHYDRO-1H-2-INDOLYLIDEN)ETHYLIDENE)-1-CYCLOHEXENYL)-1-ETHENYL)-1,3,3-TRIMETHYL-3H-INDOLIUM 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4C)(C)C)CCC3)Cl)C)C