5,8,11,14,17,28,31,34,37,40-decaoxapentacyclo[39.3.1.14,44.018,23.022,27]hexatetraconta-1(44),2,4(46),18,20,22,24,26,41(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 10630397

About 5,8,11,14,17,28,31,34,37,40-decaoxapentacyclo[39.3.1.14,44.018,23.022,27]hexatetraconta-1(44),2,4(46),18,20,22,24,26,41(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

5,8,11,14,17,28,31,34,37,40-decaoxapentacyclo[39.3.1.14,44.018,23.022,27]hexatetraconta-1(44),2,4(46),18,20,22,24,26,41(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 10630397) has the molecular formula C72H76F24N4O10P4 and a molecular weight of 1737.27 g/mol. Its IUPAC name is 5,8,11,14,17,28,31,34,37,40-decaoxapentacyclo[39.3.1.14,44.018,23.022,27]hexatetraconta-1(44),2,4(46),18,20,22,24,26,41(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: 5,8,11,14,17,28,31,34,37,40-decaoxapentacyclo[39.3.1.14,44.018,23.022,27]hexatetraconta-1(44),2,4(46),18,20,22,24,26,41(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: 10630397
• Molecular Formula: C72H76F24N4O10P4
• Molecular Weight: 1737.27 g/mol
• Exact Mass: 1736.41
• IUPAC Name: 5,8,11,14,17,28,31,34,37,40-decaoxapentacyclo[39.3.1.14,44.018,23.022,27]hexatetraconta-1(44),2,4(46),18,20,22,24,26,41(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.c1cc2c3cccc(c3c1)OCCOCCOCCOCCOc1ccc3cc(ccc3c1)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;1-3-33-34-4-2-6-36(33)46-26-22-42-18-14-38-12-16-40-20-24-44-32-10-8-29-27-31(9-7-30(29)28-32)43-23-19-39-15-11-37-13-17-41-21-25-45-35(34)5-1;4*1-7(2,3,4,5)6/h1-24H,25-28H2;1-10,27-28H,11-26H2;;;;/q+4;;4*-1
• InChIKey: PDYMEHCUYGTITN-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 5,8,11,14,17,28,31,34,37,40-decaoxapentacyclo[39.3.1.14,44.018,23.022,27]hexatetraconta-1(44),2,4(46),18,20,22,24,26,41(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 5,8,11,14,17,28,31,34,37,40-decaoxapentacyclo[39.3.1.14,44.018,23.022,27]hexatetraconta-1(44),2,4(46),18,20,22,24,26,41(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 10630397) is 5,8,11,14,17,28,31,34,37,40-decaoxapentacyclo[39.3.1.14,44.018,23.022,27]hexatetraconta-1(44),2,4(46),18,20,22,24,26,41(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 5,8,11,14,17,28,31,34,37,40-decaoxapentacyclo[39.3.1.14,44.018,23.022,27]hexatetraconta-1(44),2,4(46),18,20,22,24,26,41(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 5,8,11,14,17,28,31,34,37,40-decaoxapentacyclo[39.3.1.14,44.018,23.022,27]hexatetraconta-1(44),2,4(46),18,20,22,24,26,41(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.c1cc2c3cccc(c3c1)OCCOCCOCCOCCOc1ccc3cc(ccc3c1)OCCOCCOCCOCCO2.c1cc2ccc1C[n+]1ccc(cc1)-c1cc[n+](cc1)Cc1ccc(cc1)C[n+]1ccc(cc1)-c1cc[n+](cc1)C2.

What is the InChIKey of 5,8,11,14,17,28,31,34,37,40-decaoxapentacyclo[39.3.1.14,44.018,23.022,27]hexatetraconta-1(44),2,4(46),18,20,22,24,26,41(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 PDYMEHCUYGTITN-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;1-3-33-34-4-2-6-36(33)46-26-22-42-18-14-38-12-16-40-20-24-44-32-10-8-29-27-31(9-7-30(29)28-32)43-23-19-39-15-11-37-13-17-41-21-25-45-35(34)5-1;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 5,8,11,14,17,28,31,34,37,40-decaoxapentacyclo[39.3.1.14,44.018,23.022,27]hexatetraconta-1(44),2,4(46),18,20,22,24,26,41(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?

5,8,11,14,17,28,31,34,37,40-decaoxapentacyclo[39.3.1.14,44.018,23.022,27]hexatetraconta-1(44),2,4(46),18,20,22,24,26,41(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 5,8,11,14,17,28,31,34,37,40-decaoxapentacyclo[39.3.1.14,44.018,23.022,27]hexatetraconta-1(44),2,4(46),18,20,22,24,26,41(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 10630397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).