CAS 96100-94-6 [5]Cycloparaphenylene - Materials / Alfa Chemistry

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[5]Cycloparaphenylene

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Catalog Number

ACM96100946

CAS Number

96100-94-6

Product Name

[5]Cycloparaphenylene

Category

Supramolecular Host Materials; Carbon Nanomaterials

IUPAC Name

hexacyclo[16.2.2.22,5.26,9.210,13.214,17]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene

Molecular Weight

380.5g/mol

Molecular Formula

C30H20

Canonical SMILES

C1=CC2=C3C=CC(=C4C=CC(=C5C=CC(=C6C=CC(=C1C=C2)C=C6)C=C5)C=C4)C=C3

InChI

InChI=1S/C30H20/c1-2-22-4-3-21(1)23-5-7-25(8-6-23)27-13-15-29(16-14-27)30-19-17-28(18-20-30)26-11-9-24(22)10-12-26/h1-20H

InChI Key

CPWZIBNNYXGKBU-UHFFFAOYSA-N

Complexity

906

Covalently-Bonded Unit Count

Exact Mass

380.156501g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

380.156501g/mol

Rotatable Bond Count

XLogP3

5.9

MSDS

COA

Spec Sheet

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