cobalt(2+);5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-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

C60H72CoN8O4 — CID 5246618

About cobalt(2+);5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-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

cobalt(2+);5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-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 5246618) has the molecular formula C60H72CoN8O4 and a molecular weight of 1028.22 g/mol. Its IUPAC name is cobalt(2+);5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-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: cobalt(2+);5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-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: 5246618
• Molecular Formula: C60H72CoN8O4
• Molecular Weight: 1028.22 g/mol
• Exact Mass: 1027.50
• IUPAC Name: cobalt(2+);5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-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)C(Oc1cccc2c1-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1cccc(OC(C(C)C)C(C)C)c41)-c1cccc(OC(C(C)C)C(C)C)c1-3)c1cccc(OC(C(C)C)C(C)C)c21)C(C)C.[Co+2]
• InChI: InChI=1S/C60H72N8O4.Co/c1-29(2)49(30(3)4)69-41-25-17-21-37-45(41)57-61-53(37)66-58-47-39(23-19-27-43(47)71-51(33(9)10)34(11)12)55(63-58)68-60-48-40(24-20-28-44(48)72-52(35(13)14)36(15)16)56(64-60)67-59-46-38(54(62-59)65-57)22-18-26-42(46)70-50(31(5)6)32(7)8;/h17-36,49-52H,1-16H3;/q-2;+2
• InChIKey: SKNREOLLWVVFOI-UHFFFAOYSA-N
• XLogP: 14.36
• TPSA: 142.46 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1028.22
LogP ≤ 5	14.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-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 cobalt(2+);5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-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 5246618) is cobalt(2+);5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-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 cobalt(2+);5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-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 cobalt(2+);5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-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)C(Oc1cccc2c1-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1cccc(OC(C(C)C)C(C)C)c41)-c1cccc(OC(C(C)C)C(C)C)c1-3)c1cccc(OC(C(C)C)C(C)C)c21)C(C)C.[Co+2].

What is the InChIKey of cobalt(2+);5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-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 SKNREOLLWVVFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H72N8O4.Co/c1-29(2)49(30(3)4)69-41-25-17-21-37-45(41)57-61-53(37)66-58-47-39(23-19-27-43(47)71-51(33(9)10)34(11)12)55(63-58)68-60-48-40(24-20-28-44(48)72-52(35(13)14)36(15)16)56(64-60)67-59-46-38(54(62-59)65-57)22-18-26-42(46)70-50(31(5)6)32(7)8;/h17-36,49-52H,1-16H3;/q-2;+2.

What are the key properties of cobalt(2+);5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-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?

cobalt(2+);5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-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 1028.22 g/mol, XLogP of 14.36, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(2+);5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-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 5246618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).