6,9,12,15,18,28,31,34,37,40-decaoxapentacyclo[39.3.1.123,27.05,44.019,24]hexatetraconta-1(44),2,4,19,21,23,25,27(46),41(45),42-decaene;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

C72H76F24N4O10P4 — CID 10749083

About 6,9,12,15,18,28,31,34,37,40-decaoxapentacyclo[39.3.1.123,27.05,44.019,24]hexatetraconta-1(44),2,4,19,21,23,25,27(46),41(45),42-decaene;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

6,9,12,15,18,28,31,34,37,40-decaoxapentacyclo[39.3.1.123,27.05,44.019,24]hexatetraconta-1(44),2,4,19,21,23,25,27(46),41(45),42-decaene;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 (PubChem CID 10749083) has the molecular formula C72H76F24N4O10P4 and a molecular weight of 1737.27 g/mol. Its IUPAC name is 6,9,12,15,18,28,31,34,37,40-decaoxapentacyclo[39.3.1.123,27.05,44.019,24]hexatetraconta-1(44),2,4,19,21,23,25,27(46),41(45),42-decaene;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 Properties

• Compound Name: 6,9,12,15,18,28,31,34,37,40-decaoxapentacyclo[39.3.1.123,27.05,44.019,24]hexatetraconta-1(44),2,4,19,21,23,25,27(46),41(45),42-decaene;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
• PubChem CID: 10749083
• Molecular Formula: C72H76F24N4O10P4
• Molecular Weight: 1737.27 g/mol
• Exact Mass: 1736.41
• IUPAC Name: 6,9,12,15,18,28,31,34,37,40-decaoxapentacyclo[39.3.1.123,27.05,44.019,24]hexatetraconta-1(44),2,4,19,21,23,25,27(46),41(45),42-decaene;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
• 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.c1cc2c3ccc(cc3c1)OCCOCCOCCOCCOc1ccc3c(cccc3c1)OCCOCCOCCOCCO2.c1cc2ccc1C[n+]1ccc(cc1)-c1cc[n+](cc1)Cc1ccc(cc1)C[n+]1ccc(cc1)-c1cc[n+](cc1)C2
• InChI: InChI=1S/C36H32N4.C36H44O10.4F6P/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;1-3-29-27-31-7-9-33(29)35(5-1)45-25-21-41-17-13-38-14-18-42-22-26-46-36-6-2-4-30-28-32(8-10-34(30)36)44-24-20-40-16-12-37-11-15-39-19-23-43-31;4*1-7(2,3,4,5)6/h1-24H,25-28H2;1-10,27-28H,11-26H2;;;;/q+4;;4*-1
• InChIKey: JCVSXTJHYIUMIF-UHFFFAOYSA-N
• XLogP: 23.53
• TPSA: 107.82 Ų
• H-Bond Acceptors: 10
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1737.27
LogP ≤ 5	23.53
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 6,9,12,15,18,28,31,34,37,40-decaoxapentacyclo[39.3.1.123,27.05,44.019,24]hexatetraconta-1(44),2,4,19,21,23,25,27(46),41(45),42-decaene;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?

The IUPAC name of 6,9,12,15,18,28,31,34,37,40-decaoxapentacyclo[39.3.1.123,27.05,44.019,24]hexatetraconta-1(44),2,4,19,21,23,25,27(46),41(45),42-decaene;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 (CID 10749083) is 6,9,12,15,18,28,31,34,37,40-decaoxapentacyclo[39.3.1.123,27.05,44.019,24]hexatetraconta-1(44),2,4,19,21,23,25,27(46),41(45),42-decaene;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.

What is the SMILES notation for 6,9,12,15,18,28,31,34,37,40-decaoxapentacyclo[39.3.1.123,27.05,44.019,24]hexatetraconta-1(44),2,4,19,21,23,25,27(46),41(45),42-decaene;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?

The canonical SMILES for 6,9,12,15,18,28,31,34,37,40-decaoxapentacyclo[39.3.1.123,27.05,44.019,24]hexatetraconta-1(44),2,4,19,21,23,25,27(46),41(45),42-decaene;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 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.c1cc2c3ccc(cc3c1)OCCOCCOCCOCCOc1ccc3c(cccc3c1)OCCOCCOCCOCCO2.c1cc2ccc1C[n+]1ccc(cc1)-c1cc[n+](cc1)Cc1ccc(cc1)C[n+]1ccc(cc1)-c1cc[n+](cc1)C2.

What is the InChIKey of 6,9,12,15,18,28,31,34,37,40-decaoxapentacyclo[39.3.1.123,27.05,44.019,24]hexatetraconta-1(44),2,4,19,21,23,25,27(46),41(45),42-decaene;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?

The InChIKey is JCVSXTJHYIUMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N4.C36H44O10.4F6P/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;1-3-29-27-31-7-9-33(29)35(5-1)45-25-21-41-17-13-38-14-18-42-22-26-46-36-6-2-4-30-28-32(8-10-34(30)36)44-24-20-40-16-12-37-11-15-39-19-23-43-31;4*1-7(2,3,4,5)6/h1-24H,25-28H2;1-10,27-28H,11-26H2;;;;/q+4;;4*-1.

What are the key properties of 6,9,12,15,18,28,31,34,37,40-decaoxapentacyclo[39.3.1.123,27.05,44.019,24]hexatetraconta-1(44),2,4,19,21,23,25,27(46),41(45),42-decaene;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?

6,9,12,15,18,28,31,34,37,40-decaoxapentacyclo[39.3.1.123,27.05,44.019,24]hexatetraconta-1(44),2,4,19,21,23,25,27(46),41(45),42-decaene;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 has a molecular weight of 1737.27 g/mol, XLogP of 23.53, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6,9,12,15,18,28,31,34,37,40-decaoxapentacyclo[39.3.1.123,27.05,44.019,24]hexatetraconta-1(44),2,4,19,21,23,25,27(46),41(45),42-decaene;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 is sourced from PubChem (CID 10749083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).