zinc;52,56,61,65-tetraethyl-51,57,60,66-tetramethyl-8,11,14,19,22,25,28,31,36,39,42-undecaoxa-68,70-diaza-69,71-diazanidadecacyclo[47.9.9.215,18.232,35.150,53.155,58.159,62.164,67.02,7.043,48]pentaheptaconta-1(59),2,4,6,15(75),16,18(74),32,34,43,45,47,49(67),50,52,54,56,58(70),60,62,64(68),65,72-tricosaene;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

C108H114F24N8O11P4Zn — CID 11982595

About zinc;52,56,61,65-tetraethyl-51,57,60,66-tetramethyl-8,11,14,19,22,25,28,31,36,39,42-undecaoxa-68,70-diaza-69,71-diazanidadecacyclo[47.9.9.215,18.232,35.150,53.155,58.159,62.164,67.02,7.043,48]pentaheptaconta-1(59),2,4,6,15(75),16,18(74),32,34,43,45,47,49(67),50,52,54,56,58(70),60,62,64(68),65,72-tricosaene;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

zinc;52,56,61,65-tetraethyl-51,57,60,66-tetramethyl-8,11,14,19,22,25,28,31,36,39,42-undecaoxa-68,70-diaza-69,71-diazanidadecacyclo[47.9.9.215,18.232,35.150,53.155,58.159,62.164,67.02,7.043,48]pentaheptaconta-1(59),2,4,6,15(75),16,18(74),32,34,43,45,47,49(67),50,52,54,56,58(70),60,62,64(68),65,72-tricosaene;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 11982595) has the molecular formula C108H114F24N8O11P4Zn and a molecular weight of 2345.38 g/mol. Its IUPAC name is zinc;52,56,61,65-tetraethyl-51,57,60,66-tetramethyl-8,11,14,19,22,25,28,31,36,39,42-undecaoxa-68,70-diaza-69,71-diazanidadecacyclo[47.9.9.215,18.232,35.150,53.155,58.159,62.164,67.02,7.043,48]pentaheptaconta-1(59),2,4,6,15(75),16,18(74),32,34,43,45,47,49(67),50,52,54,56,58(70),60,62,64(68),65,72-tricosaene;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: zinc;52,56,61,65-tetraethyl-51,57,60,66-tetramethyl-8,11,14,19,22,25,28,31,36,39,42-undecaoxa-68,70-diaza-69,71-diazanidadecacyclo[47.9.9.215,18.232,35.150,53.155,58.159,62.164,67.02,7.043,48]pentaheptaconta-1(59),2,4,6,15(75),16,18(74),32,34,43,45,47,49(67),50,52,54,56,58(70),60,62,64(68),65,72-tricosaene;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: 11982595
• Molecular Formula: C108H114F24N8O11P4Zn
• Molecular Weight: 2345.38 g/mol
• Exact Mass: 2342.65
• IUPAC Name: zinc;52,56,61,65-tetraethyl-51,57,60,66-tetramethyl-8,11,14,19,22,25,28,31,36,39,42-undecaoxa-68,70-diaza-69,71-diazanidadecacyclo[47.9.9.215,18.232,35.150,53.155,58.159,62.164,67.02,7.043,48]pentaheptaconta-1(59),2,4,6,15(75),16,18(74),32,34,43,45,47,49(67),50,52,54,56,58(70),60,62,64(68),65,72-tricosaene;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: CCC1=C(C)c2nc1cc1[n-]c(c(C)c1CC)c1c3nc(cc4[n-]c(c(C)c4CC)c2-c2ccccc2OCCOCCOc2ccc(cc2)OCCOCCOCCOCCOc2ccc(cc2)OCCOCCOc2ccccc2-1)C(CC)=C3C.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.[Zn+2].c1cc2ccc1C[n+]1ccc(cc1)-c1cc[n+](cc1)Cc1ccc(cc1)C[n+]1ccc(cc1)-c1cc[n+](cc1)C2
• InChI: InChI=1S/C72H82N4O11.C36H32N4.4F6P.Zn/c1-9-55-47(5)69-67-59-17-13-15-19-65(59)86-43-37-80-35-41-84-53-25-21-51(22-26-53)82-39-33-78-31-29-77-30-32-79-34-40-83-52-23-27-54(28-24-52)85-42-36-81-38-44-87-66-20-16-14-18-60(66)68(71-48(6)56(10-2)62(74-71)45-61(55)73-69)72-50(8)58(12-4)64(76-72)46-63-57(11-3)49(7)70(67)75-63;1-2-30-4-3-29(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;/h13-28,45-46H,9-12,29-44H2,1-8H3;1-24H,25-28H2;;;;;/q-2;+4;4*-1;+2/b61-45-,62-45-,63-46-,64-46+,69-67-,70-67-,71-68-,72-68+
• InChIKey: RNDOSXUZVWQXHY-QOABSLMLSA-N
• XLogP: 32.30
• TPSA: 171.03 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 4
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2345.38
LogP ≤ 5	32.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of zinc;52,56,61,65-tetraethyl-51,57,60,66-tetramethyl-8,11,14,19,22,25,28,31,36,39,42-undecaoxa-68,70-diaza-69,71-diazanidadecacyclo[47.9.9.215,18.232,35.150,53.155,58.159,62.164,67.02,7.043,48]pentaheptaconta-1(59),2,4,6,15(75),16,18(74),32,34,43,45,47,49(67),50,52,54,56,58(70),60,62,64(68),65,72-tricosaene;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 zinc;52,56,61,65-tetraethyl-51,57,60,66-tetramethyl-8,11,14,19,22,25,28,31,36,39,42-undecaoxa-68,70-diaza-69,71-diazanidadecacyclo[47.9.9.215,18.232,35.150,53.155,58.159,62.164,67.02,7.043,48]pentaheptaconta-1(59),2,4,6,15(75),16,18(74),32,34,43,45,47,49(67),50,52,54,56,58(70),60,62,64(68),65,72-tricosaene;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 11982595) is zinc;52,56,61,65-tetraethyl-51,57,60,66-tetramethyl-8,11,14,19,22,25,28,31,36,39,42-undecaoxa-68,70-diaza-69,71-diazanidadecacyclo[47.9.9.215,18.232,35.150,53.155,58.159,62.164,67.02,7.043,48]pentaheptaconta-1(59),2,4,6,15(75),16,18(74),32,34,43,45,47,49(67),50,52,54,56,58(70),60,62,64(68),65,72-tricosaene;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 zinc;52,56,61,65-tetraethyl-51,57,60,66-tetramethyl-8,11,14,19,22,25,28,31,36,39,42-undecaoxa-68,70-diaza-69,71-diazanidadecacyclo[47.9.9.215,18.232,35.150,53.155,58.159,62.164,67.02,7.043,48]pentaheptaconta-1(59),2,4,6,15(75),16,18(74),32,34,43,45,47,49(67),50,52,54,56,58(70),60,62,64(68),65,72-tricosaene;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 zinc;52,56,61,65-tetraethyl-51,57,60,66-tetramethyl-8,11,14,19,22,25,28,31,36,39,42-undecaoxa-68,70-diaza-69,71-diazanidadecacyclo[47.9.9.215,18.232,35.150,53.155,58.159,62.164,67.02,7.043,48]pentaheptaconta-1(59),2,4,6,15(75),16,18(74),32,34,43,45,47,49(67),50,52,54,56,58(70),60,62,64(68),65,72-tricosaene;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 CCC1=C(C)c2nc1cc1[n-]c(c(C)c1CC)c1c3nc(cc4[n-]c(c(C)c4CC)c2-c2ccccc2OCCOCCOc2ccc(cc2)OCCOCCOCCOCCOc2ccc(cc2)OCCOCCOc2ccccc2-1)C(CC)=C3C.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.[Zn+2].c1cc2ccc1C[n+]1ccc(cc1)-c1cc[n+](cc1)Cc1ccc(cc1)C[n+]1ccc(cc1)-c1cc[n+](cc1)C2.

What is the InChIKey of zinc;52,56,61,65-tetraethyl-51,57,60,66-tetramethyl-8,11,14,19,22,25,28,31,36,39,42-undecaoxa-68,70-diaza-69,71-diazanidadecacyclo[47.9.9.215,18.232,35.150,53.155,58.159,62.164,67.02,7.043,48]pentaheptaconta-1(59),2,4,6,15(75),16,18(74),32,34,43,45,47,49(67),50,52,54,56,58(70),60,62,64(68),65,72-tricosaene;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 RNDOSXUZVWQXHY-QOABSLMLSA-N. The full InChI is InChI=1S/C72H82N4O11.C36H32N4.4F6P.Zn/c1-9-55-47(5)69-67-59-17-13-15-19-65(59)86-43-37-80-35-41-84-53-25-21-51(22-26-53)82-39-33-78-31-29-77-30-32-79-34-40-83-52-23-27-54(28-24-52)85-42-36-81-38-44-87-66-20-16-14-18-60(66)68(71-48(6)56(10-2)62(74-71)45-61(55)73-69)72-50(8)58(12-4)64(76-72)46-63-57(11-3)49(7)70(67)75-63;1-2-30-4-3-29(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;/h13-28,45-46H,9-12,29-44H2,1-8H3;1-24H,25-28H2;;;;;/q-2;+4;4*-1;+2/b61-45-,62-45-,63-46-,64-46+,69-67-,70-67-,71-68-,72-68+;;;;;;.

What are the key properties of zinc;52,56,61,65-tetraethyl-51,57,60,66-tetramethyl-8,11,14,19,22,25,28,31,36,39,42-undecaoxa-68,70-diaza-69,71-diazanidadecacyclo[47.9.9.215,18.232,35.150,53.155,58.159,62.164,67.02,7.043,48]pentaheptaconta-1(59),2,4,6,15(75),16,18(74),32,34,43,45,47,49(67),50,52,54,56,58(70),60,62,64(68),65,72-tricosaene;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?

zinc;52,56,61,65-tetraethyl-51,57,60,66-tetramethyl-8,11,14,19,22,25,28,31,36,39,42-undecaoxa-68,70-diaza-69,71-diazanidadecacyclo[47.9.9.215,18.232,35.150,53.155,58.159,62.164,67.02,7.043,48]pentaheptaconta-1(59),2,4,6,15(75),16,18(74),32,34,43,45,47,49(67),50,52,54,56,58(70),60,62,64(68),65,72-tricosaene;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 2345.38 g/mol, XLogP of 32.30, 4 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for zinc;52,56,61,65-tetraethyl-51,57,60,66-tetramethyl-8,11,14,19,22,25,28,31,36,39,42-undecaoxa-68,70-diaza-69,71-diazanidadecacyclo[47.9.9.215,18.232,35.150,53.155,58.159,62.164,67.02,7.043,48]pentaheptaconta-1(59),2,4,6,15(75),16,18(74),32,34,43,45,47,49(67),50,52,54,56,58(70),60,62,64(68),65,72-tricosaene;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 11982595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).