CAS 117271-77-9 Cyclobis(paraquat-1,4-phenylene) Tetrakis(hexafluorophosphate)

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Cyclobis(paraquat-1,4-phenylene) Tetrakis(hexafluorophosphate)

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Catalog Number

ACM117271779-1

Product Name

Cyclobis(paraquat-1,4-phenylene) Tetrakis(hexafluorophosphate)

Structure

CAS

117271-77-9

Category

Macrocycles

IUPAC Name

5,12,19,26-tetrazoniaheptacyclo[24.2.2.22,5.27,10.212,15.216,19.221,24]tetraconta-1(29),2(40),3,5(39),7,9,12,14,16(34),17,19(33),21(32),22,24(31),26(30),27,35,37-octadecaene;tetrahexafluorophosphate

Molecular Weight

1100.5g/mol

Molecular Formula

C36H32F24N4P4

Canonical SMILES

C1C2=CC=C(C[N+]3=CC=C(C=C3)C4=CC=[N+](CC5=CC=C(C[N+]6=CC=C(C=C6)C7=CC=[N+]1C=C7)C=C5)C=C4)C=C2.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C36H32N4.4F6P/c1-2-30-4-3-29(1)25-37-17-9-33(10-18-37)35-13-21-39(22-14-35)27-31-5-7-32(8-6-31)28-40-23-15-36(16-24-40)34-11-19-38(26-30)20-12-34;4*1-7(2,3,4,5)6/h1-24H,25-28H2;;;;/q+4;4*-1

InChI Key

ORRBEFRZPYDCAJ-UHFFFAOYSA-N

Complexity

674

Covalently-Bonded Unit Count

Exact Mass

1100.119421g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

1100.119421g/mol

Rotatable Bond Count