2-(1H-Indol-3-yl)-3,6-dimethoxy-5-(5-((1E)-3-methylbuta-1,3-dienyl)-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione

Base Information

• Chemical Name: 2-(1H-Indol-3-yl)-3,6-dimethoxy-5-(5-((1E)-3-methylbuta-1,3-dienyl)-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione
• CAS No.: 198992-52-8
• Molecular Formula: C29H24N2O4
• Molecular Weight: 464.5119
• Nikkaji Number: J905.065E
• Metabolomics Workbench ID: 99859
• Mol file: 198992-52-8.mol

Synonyms:PM-53;198992-52-8;2-(1H-Indol-3-yl)-3,6-dimethoxy-5-(5-((1E)-3-methylbuta-1,3-dienyl)-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione

Chemical Property of 2-(1H-Indol-3-yl)-3,6-dimethoxy-5-(5-((1E)-3-methylbuta-1,3-dienyl)-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione

Chemical Property:

• Vapor Pressure: 1.01E-25mmHg at 25°C
• Boiling Point: 801.7°Cat760mmHg
• Flash Point: 438.6°C
• Density: 1.33g/cm³
• XLogP3: 6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 464.17360725
• Heavy Atom Count: 35
• Complexity: 993

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)C=CC1=CC2=C(C=C1)NC=C2C3=C(C(=O)C(=C(C3=O)OC)C4=CNC5=CC=CC=C54)OC
• Isomeric SMILES: CC(=C)/C=C/C1=CC2=C(C=C1)NC=C2C3=C(C(=O)C(=C(C3=O)OC)C4=CNC5=CC=CC=C54)OC