Kekulene

Base Information

• Chemical Name: Kekulene
• CAS No.: 15123-47-4
• Molecular Formula: C48H24
• DSSTox Substance ID: DTXSID10420119
• Nikkaji Number: J1.240.354B
• Wikipedia: Kekulene
• Wikidata: Q3119689
• Metabolomics Workbench ID: 54775
• Mol file: 15123-47-4.mol

Synonyms:kekulene;[12]kekulene;15123-47-4;tridecacyclo[26.18.2.03,44.06,43.08,41.011,40.013,38.016,37.018,35.021,34.023,32.026,31.029,46]octatetraconta-1(46),2,4,6,8(41),9,11,13(38),14,16,18(35),19,21(34),22,24,26(31),27,29,32,36,39,42,44,47-tetracosaene;CHEBI:32987;DTXSID10420119;Q3119689;4,4''''':4',6'':4'',6''':4''',6'''':4'''',6''''':6,6'-Hexaetheno-3,3'''''-cyclo-1,1':3',1'':3'',1''':3''',1'''':3'''',1'''''-sexibenzene

Chemical Property of Kekulene

Chemical Property:

• XLogP3: 15
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 600.187800766
• Heavy Atom Count: 48
• Complexity: 932

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=CC3=C4C=C2C5=CC6=C(C=CC7=CC8=C(C=C76)C9=CC2=C(C=CC6=C2C=C2C(=C6)C=CC6=C2C=C4C(=C6)C=C3)C=C9C=C8)C=C51