bis(cobalt(2+));5,14,26,32-tetrakis(2-ethylhexoxy)-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;5,17,23,35-tetrakis(2-ethylhexoxy)-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

C128H160Co2N16O8 — CID 161135651

About bis(cobalt(2+));5,14,26,32-tetrakis(2-ethylhexoxy)-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;5,17,23,35-tetrakis(2-ethylhexoxy)-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

bis(cobalt(2+));5,14,26,32-tetrakis(2-ethylhexoxy)-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;5,17,23,35-tetrakis(2-ethylhexoxy)-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 161135651) has the molecular formula C128H160Co2N16O8 and a molecular weight of 2168.66 g/mol. Its IUPAC name is bis(cobalt(2+));5,14,26,32-tetrakis(2-ethylhexoxy)-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;5,17,23,35-tetrakis(2-ethylhexoxy)-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: bis(cobalt(2+));5,14,26,32-tetrakis(2-ethylhexoxy)-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;5,17,23,35-tetrakis(2-ethylhexoxy)-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: 161135651
• Molecular Formula: C128H160Co2N16O8
• Molecular Weight: 2168.66 g/mol
• Exact Mass: 2167.13
• IUPAC Name: bis(cobalt(2+));5,14,26,32-tetrakis(2-ethylhexoxy)-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;5,17,23,35-tetrakis(2-ethylhexoxy)-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: CCCCC(CC)COc1cccc2c1-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c(OCC(CC)CCCC)cccc41)-c1cccc(OCC(CC)CCCC)c1-3)c1c(OCC(CC)CCCC)cccc21.CCCCC(CC)COc1cccc2c1-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1cccc(OCC(CC)CCCC)c41)-c1cccc(OCC(CC)CCCC)c1-3)c1c(OCC(CC)CCCC)cccc21.[Co+2].[Co+2]
• InChI: InChI=1S/2C64H80N8O4.2Co/c1-9-17-25-41(13-5)37-73-49-33-21-29-45-53(49)61-66-57(45)65-58-46-30-22-35-51(75-39-43(15-7)27-19-11-3)55(46)63(67-58)72-64-56-48(32-24-36-52(56)76-40-44(16-8)28-20-12-4)60(71-64)70-62-54-47(59(68-61)69-62)31-23-34-50(54)74-38-42(14-6)26-18-10-2;1-9-17-25-41(13-5)37-73-49-33-21-29-45-53(49)61-67-57(45)65-58-47-31-23-35-51(75-39-43(15-7)27-19-11-3)55(47)63(69-58)72-64-56-48(32-24-36-52(56)76-40-44(16-8)28-20-12-4)60(70-64)66-59-46-30-22-34-50(54(46)62(68-59)71-61)74-38-42(14-6)26-18-10-2;;/h2*21-24,29-36,41-44H,9-20,25-28,37-40H2,1-8H3;;/q2*-2;2*+2
• InChIKey: UMTIUUXGADVJOH-UHFFFAOYSA-N
• XLogP: 33.01
• TPSA: 284.92 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 56
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2168.66
LogP ≤ 5	33.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of bis(cobalt(2+));5,14,26,32-tetrakis(2-ethylhexoxy)-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;5,17,23,35-tetrakis(2-ethylhexoxy)-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 bis(cobalt(2+));5,14,26,32-tetrakis(2-ethylhexoxy)-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;5,17,23,35-tetrakis(2-ethylhexoxy)-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 161135651) is bis(cobalt(2+));5,14,26,32-tetrakis(2-ethylhexoxy)-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;5,17,23,35-tetrakis(2-ethylhexoxy)-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 bis(cobalt(2+));5,14,26,32-tetrakis(2-ethylhexoxy)-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;5,17,23,35-tetrakis(2-ethylhexoxy)-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 bis(cobalt(2+));5,14,26,32-tetrakis(2-ethylhexoxy)-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;5,17,23,35-tetrakis(2-ethylhexoxy)-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 CCCCC(CC)COc1cccc2c1-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c(OCC(CC)CCCC)cccc41)-c1cccc(OCC(CC)CCCC)c1-3)c1c(OCC(CC)CCCC)cccc21.CCCCC(CC)COc1cccc2c1-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1cccc(OCC(CC)CCCC)c41)-c1cccc(OCC(CC)CCCC)c1-3)c1c(OCC(CC)CCCC)cccc21.[Co+2].[Co+2].

What is the InChIKey of bis(cobalt(2+));5,14,26,32-tetrakis(2-ethylhexoxy)-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;5,17,23,35-tetrakis(2-ethylhexoxy)-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 UMTIUUXGADVJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C64H80N8O4.2Co/c1-9-17-25-41(13-5)37-73-49-33-21-29-45-53(49)61-66-57(45)65-58-46-30-22-35-51(75-39-43(15-7)27-19-11-3)55(46)63(67-58)72-64-56-48(32-24-36-52(56)76-40-44(16-8)28-20-12-4)60(71-64)70-62-54-47(59(68-61)69-62)31-23-34-50(54)74-38-42(14-6)26-18-10-2;1-9-17-25-41(13-5)37-73-49-33-21-29-45-53(49)61-67-57(45)65-58-47-31-23-35-51(75-39-43(15-7)27-19-11-3)55(47)63(69-58)72-64-56-48(32-24-36-52(56)76-40-44(16-8)28-20-12-4)60(70-64)66-59-46-30-22-34-50(54(46)62(68-59)71-61)74-38-42(14-6)26-18-10-2;;/h2*21-24,29-36,41-44H,9-20,25-28,37-40H2,1-8H3;;/q2*-2;2*+2.

What are the key properties of bis(cobalt(2+));5,14,26,32-tetrakis(2-ethylhexoxy)-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;5,17,23,35-tetrakis(2-ethylhexoxy)-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?

bis(cobalt(2+));5,14,26,32-tetrakis(2-ethylhexoxy)-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;5,17,23,35-tetrakis(2-ethylhexoxy)-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 2168.66 g/mol, XLogP of 33.01, 56 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bis(cobalt(2+));5,14,26,32-tetrakis(2-ethylhexoxy)-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;5,17,23,35-tetrakis(2-ethylhexoxy)-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 161135651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).