[12]Cycloparaphenylene

• CAS: 1092522-75-2
• Catalog Number: ACM1092522752
• Category: Other Products
• Molecular Weight: 913.1g/mol
• Molecular Formula: C72H48
• IUPAC Name: tridecacyclo[44.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45]doheptaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71-hexatriacontaene
• Canonical SMILES: C1=CC2=C3C=CC(=C4C=CC(=C5C=CC(=C6C=CC(=C7C=CC(=C8C=CC(=C9C=CC(=C%10C=CC(=C%11C=CC(=C%12C=CC(=C%13C=CC(=C1C=C2)C=C%13)C=C%12)C=C%11)C=C%10)C=C9)C=C8)C=C7)C=C6)C=C5)C=C4)C=C3
• InChI: InChI=1S/C72H48/c1-2-50-4-3-49(1)51-5-7-53(8-6-51)55-13-15-57(16-14-55)59-21-23-61(24-22-59)63-29-31-65(32-30-63)67-37-39-69(40-38-67)71-45-47-72(48-46-71)70-43-41-68(42-44-70)66-35-33-64(34-36-66)62-27-25-60(26-28-62)58-19-17-56(18-20-58)54-11-9-52(50)10-12-54/h1-48H
• InChI Key: AAFTYBVDGIFJMP-UHFFFAOYSA-N
• Complexity: 2490
• Covalently-Bonded Unit Count: 1
• Exact Mass: 912.375602g/mol
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 72
• Monoisotopic Mass: 912.375602g/mol
• Rotatable Bond Count: 0
• XLogP3: 14.1