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[10]Cycloparaphenylene

Catalog Number
ACM1222105465
Product Name
[10]Cycloparaphenylene
CAS
1222105-46-5
Category
Supramolecular Host Materials
IUPAC Name
undecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-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-triacontaene
Molecular Weight
761g/mol
Molecular Formula
C60H40
Canonical SMILES
C1=CC2=C3C=CC(=C4C=CC(=C5C=CC(=C6C=CC(=C7C=CC(=C8C=CC(=C9C=CC(=C%10C=CC(=C%11C=CC(=C1C=C2)C=C%11)C=C%10)C=C9)C=C8)C=C7)C=C6)C=C5)C=C4)C=C3
InChI
InChI=1S/C60H40/c1-2-42-4-3-41(1)43-5-7-45(8-6-43)47-13-15-49(16-14-47)51-21-23-53(24-22-51)55-29-31-57(32-30-55)59-37-39-60(40-38-59)58-35-33-56(34-36-58)54-27-25-52(26-28-54)50-19-17-48(18-20-50)46-11-9-44(42)10-12-46/h1-40H
InChI Key
AZQFSRJNZXMCKW-UHFFFAOYSA-N
Complexity
2020
Covalently-Bonded Unit Count
1
Exact Mass
760.313001g/mol
Formal Charge
0
Heavy Atom Count
60
Monoisotopic Mass
760.313001g/mol
Rotatable Bond Count
0
XLogP3
11.7
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