copper;6,7,15,16,24,25,33,34-octachloro-5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-11,20,29,38,40,41-hexaza-2,39-diazoniadodecacyclo[19.17.1.11,12.13,37.02,10.04,9.013,18.022,27.028,39.030,38.031,36.019,41]hentetraconta-2(10),3(40),4(9),5,7,11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,34,36-nonadecaene;5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-6,7,15,16,24,25,33,34-octakis(phenylsulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene

C193H216Cl8CuN16O16S8+2 — CID 157421760

About copper;6,7,15,16,24,25,33,34-octachloro-5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-11,20,29,38,40,41-hexaza-2,39-diazoniadodecacyclo[19.17.1.11,12.13,37.02,10.04,9.013,18.022,27.028,39.030,38.031,36.019,41]hentetraconta-2(10),3(40),4(9),5,7,11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,34,36-nonadecaene;5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-6,7,15,16,24,25,33,34-octakis(phenylsulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene

copper;6,7,15,16,24,25,33,34-octachloro-5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-11,20,29,38,40,41-hexaza-2,39-diazoniadodecacyclo[19.17.1.11,12.13,37.02,10.04,9.013,18.022,27.028,39.030,38.031,36.019,41]hentetraconta-2(10),3(40),4(9),5,7,11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,34,36-nonadecaene;5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-6,7,15,16,24,25,33,34-octakis(phenylsulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene (PubChem CID 157421760) has the molecular formula C193H216Cl8CuN16O16S8+2 and a molecular weight of 3619.65 g/mol. Its IUPAC name is copper;6,7,15,16,24,25,33,34-octachloro-5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-11,20,29,38,40,41-hexaza-2,39-diazoniadodecacyclo[19.17.1.11,12.13,37.02,10.04,9.013,18.022,27.028,39.030,38.031,36.019,41]hentetraconta-2(10),3(40),4(9),5,7,11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,34,36-nonadecaene;5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-6,7,15,16,24,25,33,34-octakis(phenylsulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene.

Molecular Properties

• Compound Name: copper;6,7,15,16,24,25,33,34-octachloro-5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-11,20,29,38,40,41-hexaza-2,39-diazoniadodecacyclo[19.17.1.11,12.13,37.02,10.04,9.013,18.022,27.028,39.030,38.031,36.019,41]hentetraconta-2(10),3(40),4(9),5,7,11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,34,36-nonadecaene;5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-6,7,15,16,24,25,33,34-octakis(phenylsulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
• PubChem CID: 157421760
• Molecular Formula: C193H216Cl8CuN16O16S8+2
• Molecular Weight: 3619.65 g/mol
• Exact Mass: 3612.11
• IUPAC Name: copper;6,7,15,16,24,25,33,34-octachloro-5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-11,20,29,38,40,41-hexaza-2,39-diazoniadodecacyclo[19.17.1.11,12.13,37.02,10.04,9.013,18.022,27.028,39.030,38.031,36.019,41]hentetraconta-2(10),3(40),4(9),5,7,11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,34,36-nonadecaene;5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-6,7,15,16,24,25,33,34-octakis(phenylsulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
• SMILES: CC(C)CCOc1c(Cl)c(Cl)c(OCCC(C)C)c2c1C1=Nc3c4c(OCCC(C)C)c(Cl)c(Cl)c(OCCC(C)C)c4c4n3C35n6c(c7c(OCCC(C)C)c(Cl)c(Cl)c(OCCC(C)C)c7c6=NC6=[N+]3C(=N4)c3c(OCCC(C)C)c(Cl)c(Cl)c(OCCC(C)C)c36)=NC2=[N+]15.CC(C)CCOc1c(Sc2ccccc2)c(Sc2ccccc2)c(OCCC(C)C)c2c1-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c(OCCC(C)C)c(Sc5ccccc5)c(Sc5ccccc5)c(OCCC(C)C)c41)-c1c(OCCC(C)C)c(Sc4ccccc4)c(Sc4ccccc4)c(OCCC(C)C)c1-3)c1c(OCCC(C)C)c(Sc3ccccc3)c(Sc3ccccc3)c(OCCC(C)C)c21.[Cu+2]
• InChI: InChI=1S/C120H128N8O8S8.C73H88Cl8N8O8.Cu/c1-73(2)57-65-129-97-89-90(98(130-66-58-74(3)4)106(138-82-43-27-18-28-44-82)105(97)137-81-41-25-17-26-42-81)114-121-113(89)125-115-91-92(100(132-68-60-76(7)8)108(140-84-47-31-20-32-48-84)107(99(91)131-67-59-75(5)6)139-83-45-29-19-30-46-83)117(122-115)127-119-95-96(104(136-72-64-80(15)16)112(144-88-55-39-24-40-56-88)111(103(95)135-71-63-79(13)14)143-87-53-37-23-38-54-87)120(124-119)128-118-94-93(116(123-118)126-114)101(133-69-61-77(9)10)109(141-85-49-33-21-34-50-85)110(102(94)134-70-62-78(11)12)142-86-51-35-22-36-52-86;1-33(2)17-25-90-57-41-42(58(50(75)49(57)74)91-26-18-34(3)4)66-83-68-45-46(62(95-30-22-38(11)12)54(79)53(78)61(45)94-29-21-37(9)10)70-85-72-48-47(63(96-31-23-39(13)14)55(80)56(81)64(48)97-32-24-40(15)16)71-84-69-44-43(67-82-65(41)86(66)73(87(67)69,88(68)70)89(71)72)59(92-27-19-35(5)6)51(76)52(77)60(44)93-28-20-36(7)8;/h17-56,73-80H,57-72H2,1-16H3;33-40H,17-32H2,1-16H3;/q-2;2*+2
• InChIKey: SSFAHPYDAGUKPX-UHFFFAOYSA-N
• XLogP: 55.07
• TPSA: 318.54 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 80
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3619.65
LogP ≤ 5	55.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of copper;6,7,15,16,24,25,33,34-octachloro-5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-11,20,29,38,40,41-hexaza-2,39-diazoniadodecacyclo[19.17.1.11,12.13,37.02,10.04,9.013,18.022,27.028,39.030,38.031,36.019,41]hentetraconta-2(10),3(40),4(9),5,7,11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,34,36-nonadecaene;5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-6,7,15,16,24,25,33,34-octakis(phenylsulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?

The IUPAC name of copper;6,7,15,16,24,25,33,34-octachloro-5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-11,20,29,38,40,41-hexaza-2,39-diazoniadodecacyclo[19.17.1.11,12.13,37.02,10.04,9.013,18.022,27.028,39.030,38.031,36.019,41]hentetraconta-2(10),3(40),4(9),5,7,11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,34,36-nonadecaene;5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-6,7,15,16,24,25,33,34-octakis(phenylsulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene (CID 157421760) is copper;6,7,15,16,24,25,33,34-octachloro-5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-11,20,29,38,40,41-hexaza-2,39-diazoniadodecacyclo[19.17.1.11,12.13,37.02,10.04,9.013,18.022,27.028,39.030,38.031,36.019,41]hentetraconta-2(10),3(40),4(9),5,7,11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,34,36-nonadecaene;5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-6,7,15,16,24,25,33,34-octakis(phenylsulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene.

What is the SMILES notation for copper;6,7,15,16,24,25,33,34-octachloro-5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-11,20,29,38,40,41-hexaza-2,39-diazoniadodecacyclo[19.17.1.11,12.13,37.02,10.04,9.013,18.022,27.028,39.030,38.031,36.019,41]hentetraconta-2(10),3(40),4(9),5,7,11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,34,36-nonadecaene;5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-6,7,15,16,24,25,33,34-octakis(phenylsulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?

The canonical SMILES for copper;6,7,15,16,24,25,33,34-octachloro-5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-11,20,29,38,40,41-hexaza-2,39-diazoniadodecacyclo[19.17.1.11,12.13,37.02,10.04,9.013,18.022,27.028,39.030,38.031,36.019,41]hentetraconta-2(10),3(40),4(9),5,7,11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,34,36-nonadecaene;5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-6,7,15,16,24,25,33,34-octakis(phenylsulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene is CC(C)CCOc1c(Cl)c(Cl)c(OCCC(C)C)c2c1C1=Nc3c4c(OCCC(C)C)c(Cl)c(Cl)c(OCCC(C)C)c4c4n3C35n6c(c7c(OCCC(C)C)c(Cl)c(Cl)c(OCCC(C)C)c7c6=NC6=[N+]3C(=N4)c3c(OCCC(C)C)c(Cl)c(Cl)c(OCCC(C)C)c36)=NC2=[N+]15.CC(C)CCOc1c(Sc2ccccc2)c(Sc2ccccc2)c(OCCC(C)C)c2c1-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c(OCCC(C)C)c(Sc5ccccc5)c(Sc5ccccc5)c(OCCC(C)C)c41)-c1c(OCCC(C)C)c(Sc4ccccc4)c(Sc4ccccc4)c(OCCC(C)C)c1-3)c1c(OCCC(C)C)c(Sc3ccccc3)c(Sc3ccccc3)c(OCCC(C)C)c21.[Cu+2].

What is the InChIKey of copper;6,7,15,16,24,25,33,34-octachloro-5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-11,20,29,38,40,41-hexaza-2,39-diazoniadodecacyclo[19.17.1.11,12.13,37.02,10.04,9.013,18.022,27.028,39.030,38.031,36.019,41]hentetraconta-2(10),3(40),4(9),5,7,11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,34,36-nonadecaene;5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-6,7,15,16,24,25,33,34-octakis(phenylsulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?

The InChIKey is SSFAHPYDAGUKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H128N8O8S8.C73H88Cl8N8O8.Cu/c1-73(2)57-65-129-97-89-90(98(130-66-58-74(3)4)106(138-82-43-27-18-28-44-82)105(97)137-81-41-25-17-26-42-81)114-121-113(89)125-115-91-92(100(132-68-60-76(7)8)108(140-84-47-31-20-32-48-84)107(99(91)131-67-59-75(5)6)139-83-45-29-19-30-46-83)117(122-115)127-119-95-96(104(136-72-64-80(15)16)112(144-88-55-39-24-40-56-88)111(103(95)135-71-63-79(13)14)143-87-53-37-23-38-54-87)120(124-119)128-118-94-93(116(123-118)126-114)101(133-69-61-77(9)10)109(141-85-49-33-21-34-50-85)110(102(94)134-70-62-78(11)12)142-86-51-35-22-36-52-86;1-33(2)17-25-90-57-41-42(58(50(75)49(57)74)91-26-18-34(3)4)66-83-68-45-46(62(95-30-22-38(11)12)54(79)53(78)61(45)94-29-21-37(9)10)70-85-72-48-47(63(96-31-23-39(13)14)55(80)56(81)64(48)97-32-24-40(15)16)71-84-69-44-43(67-82-65(41)86(66)73(87(67)69,88(68)70)89(71)72)59(92-27-19-35(5)6)51(76)52(77)60(44)93-28-20-36(7)8;/h17-56,73-80H,57-72H2,1-16H3;33-40H,17-32H2,1-16H3;/q-2;2*+2.

What are the key properties of copper;6,7,15,16,24,25,33,34-octachloro-5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-11,20,29,38,40,41-hexaza-2,39-diazoniadodecacyclo[19.17.1.11,12.13,37.02,10.04,9.013,18.022,27.028,39.030,38.031,36.019,41]hentetraconta-2(10),3(40),4(9),5,7,11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,34,36-nonadecaene;5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-6,7,15,16,24,25,33,34-octakis(phenylsulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?

copper;6,7,15,16,24,25,33,34-octachloro-5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-11,20,29,38,40,41-hexaza-2,39-diazoniadodecacyclo[19.17.1.11,12.13,37.02,10.04,9.013,18.022,27.028,39.030,38.031,36.019,41]hentetraconta-2(10),3(40),4(9),5,7,11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,34,36-nonadecaene;5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-6,7,15,16,24,25,33,34-octakis(phenylsulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene has a molecular weight of 3619.65 g/mol, XLogP of 55.07, 80 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for copper;6,7,15,16,24,25,33,34-octachloro-5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-11,20,29,38,40,41-hexaza-2,39-diazoniadodecacyclo[19.17.1.11,12.13,37.02,10.04,9.013,18.022,27.028,39.030,38.031,36.019,41]hentetraconta-2(10),3(40),4(9),5,7,11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,34,36-nonadecaene;5,8,14,17,23,26,32,35-octakis(3-methylbutoxy)-6,7,15,16,24,25,33,34-octakis(phenylsulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene is sourced from PubChem (CID 157421760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).