bis(3,10,16,23,30,37,43,50-octazoniatridecacyclo[50.2.2.23,6.27,10.216,19.220,23.225,28.230,33.234,37.243,46.247,50.012,39.014,41]tetraheptaconta-1(54),3(74),4,6(73),7(72),8,10(71),12,14(41),16(70),17,19(69),20(68),21,23(67),25,27,30,32,34,36,39,43,45,47,49,52,55,57,59,61,63,65-tritriacontaene);bis(6,9,12,15,18,21,24,35,38,41,44,47,50,53-tetradecaoxapentacyclo[52.4.0.05,58.025,30.029,34]octapentaconta-1(58),2,4,25,27,29,31,33,54,56-decaene);hexadecahexafluorophosphate

C220H236F96N16O28P16 — CID 139041999

About bis(3,10,16,23,30,37,43,50-octazoniatridecacyclo[50.2.2.23,6.27,10.216,19.220,23.225,28.230,33.234,37.243,46.247,50.012,39.014,41]tetraheptaconta-1(54),3(74),4,6(73),7(72),8,10(71),12,14(41),16(70),17,19(69),20(68),21,23(67),25,27,30,32,34,36,39,43,45,47,49,52,55,57,59,61,63,65-tritriacontaene);bis(6,9,12,15,18,21,24,35,38,41,44,47,50,53-tetradecaoxapentacyclo[52.4.0.05,58.025,30.029,34]octapentaconta-1(58),2,4,25,27,29,31,33,54,56-decaene);hexadecahexafluorophosphate

bis(3,10,16,23,30,37,43,50-octazoniatridecacyclo[50.2.2.23,6.27,10.216,19.220,23.225,28.230,33.234,37.243,46.247,50.012,39.014,41]tetraheptaconta-1(54),3(74),4,6(73),7(72),8,10(71),12,14(41),16(70),17,19(69),20(68),21,23(67),25,27,30,32,34,36,39,43,45,47,49,52,55,57,59,61,63,65-tritriacontaene);bis(6,9,12,15,18,21,24,35,38,41,44,47,50,53-tetradecaoxapentacyclo[52.4.0.05,58.025,30.029,34]octapentaconta-1(58),2,4,25,27,29,31,33,54,56-decaene);hexadecahexafluorophosphate (PubChem CID 139041999) has the molecular formula C220H236F96N16O28P16 and a molecular weight of 5871.78 g/mol. Its IUPAC name is bis(3,10,16,23,30,37,43,50-octazoniatridecacyclo[50.2.2.23,6.27,10.216,19.220,23.225,28.230,33.234,37.243,46.247,50.012,39.014,41]tetraheptaconta-1(54),3(74),4,6(73),7(72),8,10(71),12,14(41),16(70),17,19(69),20(68),21,23(67),25,27,30,32,34,36,39,43,45,47,49,52,55,57,59,61,63,65-tritriacontaene);bis(6,9,12,15,18,21,24,35,38,41,44,47,50,53-tetradecaoxapentacyclo[52.4.0.05,58.025,30.029,34]octapentaconta-1(58),2,4,25,27,29,31,33,54,56-decaene);hexadecahexafluorophosphate.

Molecular Properties

• Compound Name: bis(3,10,16,23,30,37,43,50-octazoniatridecacyclo[50.2.2.23,6.27,10.216,19.220,23.225,28.230,33.234,37.243,46.247,50.012,39.014,41]tetraheptaconta-1(54),3(74),4,6(73),7(72),8,10(71),12,14(41),16(70),17,19(69),20(68),21,23(67),25,27,30,32,34,36,39,43,45,47,49,52,55,57,59,61,63,65-tritriacontaene);bis(6,9,12,15,18,21,24,35,38,41,44,47,50,53-tetradecaoxapentacyclo[52.4.0.05,58.025,30.029,34]octapentaconta-1(58),2,4,25,27,29,31,33,54,56-decaene);hexadecahexafluorophosphate
• PubChem CID: 139041999
• Molecular Formula: C220H236F96N16O28P16
• Molecular Weight: 5871.78 g/mol
• Exact Mass: 5869.18
• IUPAC Name: bis(3,10,16,23,30,37,43,50-octazoniatridecacyclo[50.2.2.23,6.27,10.216,19.220,23.225,28.230,33.234,37.243,46.247,50.012,39.014,41]tetraheptaconta-1(54),3(74),4,6(73),7(72),8,10(71),12,14(41),16(70),17,19(69),20(68),21,23(67),25,27,30,32,34,36,39,43,45,47,49,52,55,57,59,61,63,65-tritriacontaene);bis(6,9,12,15,18,21,24,35,38,41,44,47,50,53-tetradecaoxapentacyclo[52.4.0.05,58.025,30.029,34]octapentaconta-1(58),2,4,25,27,29,31,33,54,56-decaene);hexadecahexafluorophosphate
• 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.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.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.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)OCCOCCOCCOCCOCCOCCOc1cccc3c(cccc13)OCCOCCOCCOCCOCCOCCO2.c1cc2c3cccc(c3c1)OCCOCCOCCOCCOCCOCCOc1cccc3c(cccc13)OCCOCCOCCOCCOCCOCCO2.c1cc2ccc1C[n+]1ccc(cc1)-c1cc[n+](cc1)Cc1cc3c(cc1C[n+]1ccc(cc1)-c1cc[n+](cc1)Cc1ccc(cc1)C[n+]1ccc(cc1)-c1cc[n+](cc1)C3)C[n+]1ccc(cc1)-c1cc[n+](cc1)C2.c1cc2ccc1C[n+]1ccc(cc1)-c1cc[n+](cc1)Cc1cc3c(cc1C[n+]1ccc(cc1)-c1cc[n+](cc1)Cc1ccc(cc1)C[n+]1ccc(cc1)-c1cc[n+](cc1)C3)C[n+]1ccc(cc1)-c1cc[n+](cc1)C2
• InChI: InChI=1S/2C66H58N8.2C44H60O14.16F6P/c2*1-2-52-4-3-51(1)43-67-25-9-55(10-26-67)59-17-33-71(34-18-59)47-63-41-66-50-74-39-23-62(24-40-74)58-15-31-70(32-16-58)46-54-7-5-53(6-8-54)45-69-29-13-57(14-30-69)61-21-37-73(38-22-61)49-65(63)42-64(66)48-72-35-19-60(20-36-72)56-11-27-68(44-52)28-12-56;2*1-5-37-38-6-2-10-42(37)56-34-30-52-26-22-48-18-14-46-16-20-50-24-28-54-32-36-58-44-12-4-7-39-40(44)8-3-11-43(39)57-35-31-53-27-23-49-19-15-45-13-17-47-21-25-51-29-33-55-41(38)9-1;16*1-7(2,3,4,5)6/h2*1-42H,43-50H2;2*1-12H,13-36H2;;;;;;;;;;;;;;;;/q2*+8;;;16*-1
• InChIKey: NASIXOOGQGGAGE-UHFFFAOYSA-N
• XLogP: 80.23
• TPSA: 320.52 Ų
• H-Bond Acceptors: 28
• Heavy Atoms: 376
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5871.78
LogP ≤ 5	80.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of bis(3,10,16,23,30,37,43,50-octazoniatridecacyclo[50.2.2.23,6.27,10.216,19.220,23.225,28.230,33.234,37.243,46.247,50.012,39.014,41]tetraheptaconta-1(54),3(74),4,6(73),7(72),8,10(71),12,14(41),16(70),17,19(69),20(68),21,23(67),25,27,30,32,34,36,39,43,45,47,49,52,55,57,59,61,63,65-tritriacontaene);bis(6,9,12,15,18,21,24,35,38,41,44,47,50,53-tetradecaoxapentacyclo[52.4.0.05,58.025,30.029,34]octapentaconta-1(58),2,4,25,27,29,31,33,54,56-decaene);hexadecahexafluorophosphate?

The IUPAC name of bis(3,10,16,23,30,37,43,50-octazoniatridecacyclo[50.2.2.23,6.27,10.216,19.220,23.225,28.230,33.234,37.243,46.247,50.012,39.014,41]tetraheptaconta-1(54),3(74),4,6(73),7(72),8,10(71),12,14(41),16(70),17,19(69),20(68),21,23(67),25,27,30,32,34,36,39,43,45,47,49,52,55,57,59,61,63,65-tritriacontaene);bis(6,9,12,15,18,21,24,35,38,41,44,47,50,53-tetradecaoxapentacyclo[52.4.0.05,58.025,30.029,34]octapentaconta-1(58),2,4,25,27,29,31,33,54,56-decaene);hexadecahexafluorophosphate (CID 139041999) is bis(3,10,16,23,30,37,43,50-octazoniatridecacyclo[50.2.2.23,6.27,10.216,19.220,23.225,28.230,33.234,37.243,46.247,50.012,39.014,41]tetraheptaconta-1(54),3(74),4,6(73),7(72),8,10(71),12,14(41),16(70),17,19(69),20(68),21,23(67),25,27,30,32,34,36,39,43,45,47,49,52,55,57,59,61,63,65-tritriacontaene);bis(6,9,12,15,18,21,24,35,38,41,44,47,50,53-tetradecaoxapentacyclo[52.4.0.05,58.025,30.029,34]octapentaconta-1(58),2,4,25,27,29,31,33,54,56-decaene);hexadecahexafluorophosphate.

What is the SMILES notation for bis(3,10,16,23,30,37,43,50-octazoniatridecacyclo[50.2.2.23,6.27,10.216,19.220,23.225,28.230,33.234,37.243,46.247,50.012,39.014,41]tetraheptaconta-1(54),3(74),4,6(73),7(72),8,10(71),12,14(41),16(70),17,19(69),20(68),21,23(67),25,27,30,32,34,36,39,43,45,47,49,52,55,57,59,61,63,65-tritriacontaene);bis(6,9,12,15,18,21,24,35,38,41,44,47,50,53-tetradecaoxapentacyclo[52.4.0.05,58.025,30.029,34]octapentaconta-1(58),2,4,25,27,29,31,33,54,56-decaene);hexadecahexafluorophosphate?

The canonical SMILES for bis(3,10,16,23,30,37,43,50-octazoniatridecacyclo[50.2.2.23,6.27,10.216,19.220,23.225,28.230,33.234,37.243,46.247,50.012,39.014,41]tetraheptaconta-1(54),3(74),4,6(73),7(72),8,10(71),12,14(41),16(70),17,19(69),20(68),21,23(67),25,27,30,32,34,36,39,43,45,47,49,52,55,57,59,61,63,65-tritriacontaene);bis(6,9,12,15,18,21,24,35,38,41,44,47,50,53-tetradecaoxapentacyclo[52.4.0.05,58.025,30.029,34]octapentaconta-1(58),2,4,25,27,29,31,33,54,56-decaene);hexadecahexafluorophosphate 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.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.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.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)OCCOCCOCCOCCOCCOCCOc1cccc3c(cccc13)OCCOCCOCCOCCOCCOCCO2.c1cc2c3cccc(c3c1)OCCOCCOCCOCCOCCOCCOc1cccc3c(cccc13)OCCOCCOCCOCCOCCOCCO2.c1cc2ccc1C[n+]1ccc(cc1)-c1cc[n+](cc1)Cc1cc3c(cc1C[n+]1ccc(cc1)-c1cc[n+](cc1)Cc1ccc(cc1)C[n+]1ccc(cc1)-c1cc[n+](cc1)C3)C[n+]1ccc(cc1)-c1cc[n+](cc1)C2.c1cc2ccc1C[n+]1ccc(cc1)-c1cc[n+](cc1)Cc1cc3c(cc1C[n+]1ccc(cc1)-c1cc[n+](cc1)Cc1ccc(cc1)C[n+]1ccc(cc1)-c1cc[n+](cc1)C3)C[n+]1ccc(cc1)-c1cc[n+](cc1)C2.

What is the InChIKey of bis(3,10,16,23,30,37,43,50-octazoniatridecacyclo[50.2.2.23,6.27,10.216,19.220,23.225,28.230,33.234,37.243,46.247,50.012,39.014,41]tetraheptaconta-1(54),3(74),4,6(73),7(72),8,10(71),12,14(41),16(70),17,19(69),20(68),21,23(67),25,27,30,32,34,36,39,43,45,47,49,52,55,57,59,61,63,65-tritriacontaene);bis(6,9,12,15,18,21,24,35,38,41,44,47,50,53-tetradecaoxapentacyclo[52.4.0.05,58.025,30.029,34]octapentaconta-1(58),2,4,25,27,29,31,33,54,56-decaene);hexadecahexafluorophosphate?

The InChIKey is NASIXOOGQGGAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C66H58N8.2C44H60O14.16F6P/c2*1-2-52-4-3-51(1)43-67-25-9-55(10-26-67)59-17-33-71(34-18-59)47-63-41-66-50-74-39-23-62(24-40-74)58-15-31-70(32-16-58)46-54-7-5-53(6-8-54)45-69-29-13-57(14-30-69)61-21-37-73(38-22-61)49-65(63)42-64(66)48-72-35-19-60(20-36-72)56-11-27-68(44-52)28-12-56;2*1-5-37-38-6-2-10-42(37)56-34-30-52-26-22-48-18-14-46-16-20-50-24-28-54-32-36-58-44-12-4-7-39-40(44)8-3-11-43(39)57-35-31-53-27-23-49-19-15-45-13-17-47-21-25-51-29-33-55-41(38)9-1;16*1-7(2,3,4,5)6/h2*1-42H,43-50H2;2*1-12H,13-36H2;;;;;;;;;;;;;;;;/q2*+8;;;16*-1.

What are the key properties of bis(3,10,16,23,30,37,43,50-octazoniatridecacyclo[50.2.2.23,6.27,10.216,19.220,23.225,28.230,33.234,37.243,46.247,50.012,39.014,41]tetraheptaconta-1(54),3(74),4,6(73),7(72),8,10(71),12,14(41),16(70),17,19(69),20(68),21,23(67),25,27,30,32,34,36,39,43,45,47,49,52,55,57,59,61,63,65-tritriacontaene);bis(6,9,12,15,18,21,24,35,38,41,44,47,50,53-tetradecaoxapentacyclo[52.4.0.05,58.025,30.029,34]octapentaconta-1(58),2,4,25,27,29,31,33,54,56-decaene);hexadecahexafluorophosphate?

bis(3,10,16,23,30,37,43,50-octazoniatridecacyclo[50.2.2.23,6.27,10.216,19.220,23.225,28.230,33.234,37.243,46.247,50.012,39.014,41]tetraheptaconta-1(54),3(74),4,6(73),7(72),8,10(71),12,14(41),16(70),17,19(69),20(68),21,23(67),25,27,30,32,34,36,39,43,45,47,49,52,55,57,59,61,63,65-tritriacontaene);bis(6,9,12,15,18,21,24,35,38,41,44,47,50,53-tetradecaoxapentacyclo[52.4.0.05,58.025,30.029,34]octapentaconta-1(58),2,4,25,27,29,31,33,54,56-decaene);hexadecahexafluorophosphate has a molecular weight of 5871.78 g/mol, XLogP of 80.23, 0 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3,10,16,23,30,37,43,50-octazoniatridecacyclo[50.2.2.23,6.27,10.216,19.220,23.225,28.230,33.234,37.243,46.247,50.012,39.014,41]tetraheptaconta-1(54),3(74),4,6(73),7(72),8,10(71),12,14(41),16(70),17,19(69),20(68),21,23(67),25,27,30,32,34,36,39,43,45,47,49,52,55,57,59,61,63,65-tritriacontaene);bis(6,9,12,15,18,21,24,35,38,41,44,47,50,53-tetradecaoxapentacyclo[52.4.0.05,58.025,30.029,34]octapentaconta-1(58),2,4,25,27,29,31,33,54,56-decaene);hexadecahexafluorophosphate is sourced from PubChem (CID 139041999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).