2-[(E)-3-(1,3-diethylbenzo[f]benzimidazol-2-ylidene)prop-1-enyl]-3-ethyl-1,3-benzoxazol-3-ium;iodide

Base Information

• Chemical Name: 2-[(E)-3-(1,3-diethylbenzo[f]benzimidazol-2-ylidene)prop-1-enyl]-3-ethyl-1,3-benzoxazol-3-ium;iodide
• CAS No.: 80079-28-3
• Molecular Formula: C27H28N3O.I
• ChEMBL ID: CHEMBL23360
• Mol file: 80079-28-3.mol

Synonyms:CHEMBL23360

Chemical Property of 2-[(E)-3-(1,3-diethylbenzo[f]benzimidazol-2-ylidene)prop-1-enyl]-3-ethyl-1,3-benzoxazol-3-ium;iodide

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 537.12771
• Heavy Atom Count: 32
• Complexity: 645

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=CC3=CC=CC=C3C=C2N(C1=CC=CC4=[N+](C5=CC=CC=C5O4)CC)CC.[I-]
• Isomeric SMILES: CCN1C2=CC3=CC=CC=C3C=C2N(C1=C/C=C/C4=[N+](C5=CC=CC=C5O4)CC)CC.[I-]