6,9,12,15,18,29,32,35,38,41-decaoxapentacyclo[40.4.0.05,46.019,24.023,28]hexatetraconta-1(46),2,4,19,21,23,25,27,42,44-decaene;5,16,23,34-tetrazonianonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene;tetrahexafluorophosphate

C84H84F24N4O10P4 — CID 11981650

About 6,9,12,15,18,29,32,35,38,41-decaoxapentacyclo[40.4.0.05,46.019,24.023,28]hexatetraconta-1(46),2,4,19,21,23,25,27,42,44-decaene;5,16,23,34-tetrazonianonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene;tetrahexafluorophosphate

6,9,12,15,18,29,32,35,38,41-decaoxapentacyclo[40.4.0.05,46.019,24.023,28]hexatetraconta-1(46),2,4,19,21,23,25,27,42,44-decaene;5,16,23,34-tetrazonianonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene;tetrahexafluorophosphate (PubChem CID 11981650) has the molecular formula C84H84F24N4O10P4 and a molecular weight of 1889.46 g/mol. Its IUPAC name is 6,9,12,15,18,29,32,35,38,41-decaoxapentacyclo[40.4.0.05,46.019,24.023,28]hexatetraconta-1(46),2,4,19,21,23,25,27,42,44-decaene;5,16,23,34-tetrazonianonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene;tetrahexafluorophosphate.

Molecular Properties

• Compound Name: 6,9,12,15,18,29,32,35,38,41-decaoxapentacyclo[40.4.0.05,46.019,24.023,28]hexatetraconta-1(46),2,4,19,21,23,25,27,42,44-decaene;5,16,23,34-tetrazonianonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene;tetrahexafluorophosphate
• PubChem CID: 11981650
• Molecular Formula: C84H84F24N4O10P4
• Molecular Weight: 1889.46 g/mol
• Exact Mass: 1888.48
• IUPAC Name: 6,9,12,15,18,29,32,35,38,41-decaoxapentacyclo[40.4.0.05,46.019,24.023,28]hexatetraconta-1(46),2,4,19,21,23,25,27,42,44-decaene;5,16,23,34-tetrazonianonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene;tetrahexafluorophosphate
• SMILES: 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.c1cc2c3cccc(c3c1)OCCOCCOCCOCCOc1cccc3c(cccc13)OCCOCCOCCOCCO2.c1cc2ccc1C[n+]1ccc(cc1)-c1cc[n+](cc1)Cc1ccc(cc1)-c1ccc(cc1)C[n+]1ccc(cc1)-c1cc[n+](cc1)Cc1ccc-2cc1
• InChI: InChI=1S/C48H40N4.C36H44O10.4F6P/c1-9-41-10-2-37(1)33-49-25-17-45(18-26-49)46-19-27-51(28-20-46)35-39-5-13-43(14-6-39)44-15-7-40(8-16-44)36-52-31-23-48(24-32-52)47-21-29-50(30-22-47)34-38-3-11-42(41)12-4-38;1-5-29-30-6-2-10-34(29)44-26-22-40-18-14-38-16-20-42-24-28-46-36-12-4-7-31-32(36)8-3-11-35(31)45-27-23-41-19-15-37-13-17-39-21-25-43-33(30)9-1;4*1-7(2,3,4,5)6/h1-32H,33-36H2;1-12H,13-28H2;;;;/q+4;;4*-1
• InChIKey: RILHUCKDGCFXDE-UHFFFAOYSA-N
• XLogP: 26.86
• TPSA: 107.82 Ų
• H-Bond Acceptors: 10
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1889.46
LogP ≤ 5	26.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6,9,12,15,18,29,32,35,38,41-decaoxapentacyclo[40.4.0.05,46.019,24.023,28]hexatetraconta-1(46),2,4,19,21,23,25,27,42,44-decaene;5,16,23,34-tetrazonianonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene;tetrahexafluorophosphate?

The IUPAC name of 6,9,12,15,18,29,32,35,38,41-decaoxapentacyclo[40.4.0.05,46.019,24.023,28]hexatetraconta-1(46),2,4,19,21,23,25,27,42,44-decaene;5,16,23,34-tetrazonianonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene;tetrahexafluorophosphate (CID 11981650) is 6,9,12,15,18,29,32,35,38,41-decaoxapentacyclo[40.4.0.05,46.019,24.023,28]hexatetraconta-1(46),2,4,19,21,23,25,27,42,44-decaene;5,16,23,34-tetrazonianonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene;tetrahexafluorophosphate.

What is the SMILES notation for 6,9,12,15,18,29,32,35,38,41-decaoxapentacyclo[40.4.0.05,46.019,24.023,28]hexatetraconta-1(46),2,4,19,21,23,25,27,42,44-decaene;5,16,23,34-tetrazonianonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene;tetrahexafluorophosphate?

The canonical SMILES for 6,9,12,15,18,29,32,35,38,41-decaoxapentacyclo[40.4.0.05,46.019,24.023,28]hexatetraconta-1(46),2,4,19,21,23,25,27,42,44-decaene;5,16,23,34-tetrazonianonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene;tetrahexafluorophosphate is 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.c1cc2c3cccc(c3c1)OCCOCCOCCOCCOc1cccc3c(cccc13)OCCOCCOCCOCCO2.c1cc2ccc1C[n+]1ccc(cc1)-c1cc[n+](cc1)Cc1ccc(cc1)-c1ccc(cc1)C[n+]1ccc(cc1)-c1cc[n+](cc1)Cc1ccc-2cc1.

What is the InChIKey of 6,9,12,15,18,29,32,35,38,41-decaoxapentacyclo[40.4.0.05,46.019,24.023,28]hexatetraconta-1(46),2,4,19,21,23,25,27,42,44-decaene;5,16,23,34-tetrazonianonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene;tetrahexafluorophosphate?

The InChIKey is RILHUCKDGCFXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N4.C36H44O10.4F6P/c1-9-41-10-2-37(1)33-49-25-17-45(18-26-49)46-19-27-51(28-20-46)35-39-5-13-43(14-6-39)44-15-7-40(8-16-44)36-52-31-23-48(24-32-52)47-21-29-50(30-22-47)34-38-3-11-42(41)12-4-38;1-5-29-30-6-2-10-34(29)44-26-22-40-18-14-38-16-20-42-24-28-46-36-12-4-7-31-32(36)8-3-11-35(31)45-27-23-41-19-15-37-13-17-39-21-25-43-33(30)9-1;4*1-7(2,3,4,5)6/h1-32H,33-36H2;1-12H,13-28H2;;;;/q+4;;4*-1.

What are the key properties of 6,9,12,15,18,29,32,35,38,41-decaoxapentacyclo[40.4.0.05,46.019,24.023,28]hexatetraconta-1(46),2,4,19,21,23,25,27,42,44-decaene;5,16,23,34-tetrazonianonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene;tetrahexafluorophosphate?

6,9,12,15,18,29,32,35,38,41-decaoxapentacyclo[40.4.0.05,46.019,24.023,28]hexatetraconta-1(46),2,4,19,21,23,25,27,42,44-decaene;5,16,23,34-tetrazonianonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene;tetrahexafluorophosphate has a molecular weight of 1889.46 g/mol, XLogP of 26.86, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6,9,12,15,18,29,32,35,38,41-decaoxapentacyclo[40.4.0.05,46.019,24.023,28]hexatetraconta-1(46),2,4,19,21,23,25,27,42,44-decaene;5,16,23,34-tetrazonianonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene;tetrahexafluorophosphate is sourced from PubChem (CID 11981650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).