2-(7-(1,3-Dihydro-3,3-dimethyl-1-pentyl-2H-indol-2-ylidene)-1,3,5-heptatrienyl)-3,3-dimethyl-1-pentyl-3H-indolium iodide

Base Information

• Chemical Name: 2-(7-(1,3-Dihydro-3,3-dimethyl-1-pentyl-2H-indol-2-ylidene)-1,3,5-heptatrienyl)-3,3-dimethyl-1-pentyl-3H-indolium iodide
• CAS No.: 159021-01-9
• Molecular Formula: C37H49 N2 . I
• Molecular Weight: 648.70283
• Mol file: 159021-01-9.mol

Synonyms:DiIC5(3);dipentyl-3,3,3',3'-tetramethylindocarbocyanine;dipentyl-3,3,3',3'-tetramethylindocarbocyanine iodide

Chemical Property of 2-(7-(1,3-Dihydro-3,3-dimethyl-1-pentyl-2H-indol-2-ylidene)-1,3,5-heptatrienyl)-3,3-dimethyl-1-pentyl-3H-indolium iodide

Chemical Property:

• PSA: 6.25000
• LogP: 6.82130
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 648.29405
• Heavy Atom Count: 40
• Complexity: 871

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCN1C2=CC=CC=C2C(C1=CC=CC=CC=CC3=[N+](C4=CC=CC=C4C3(C)C)CCCCC)(C)C.[I-]
• Isomeric SMILES: CCCCCN\1C2=CC=CC=C2C(/C1=C\C=C\C=C\C=C\C3=[N+](C4=CC=CC=C4C3(C)C)CCCCC)(C)C.[I-]