cobalt(2+);6,15,25-tritert-butyl-34-iodo-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

C44H39CoIN8 — CID 10724298

About cobalt(2+);6,15,25-tritert-butyl-34-iodo-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+);6,15,25-tritert-butyl-34-iodo-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 10724298) has the molecular formula C44H39CoIN8 and a molecular weight of 865.69 g/mol. Its IUPAC name is cobalt(2+);6,15,25-tritert-butyl-34-iodo-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+);6,15,25-tritert-butyl-34-iodo-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: 10724298
• Molecular Formula: C44H39CoIN8
• Molecular Weight: 865.69 g/mol
• Exact Mass: 865.17
• IUPAC Name: cobalt(2+);6,15,25-tritert-butyl-34-iodo-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)c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccc(C(C)(C)C)cc41)-c1cc(I)ccc1-3)c1cc(C(C)(C)C)ccc21.[Co+2]
• InChI: InChI=1S/C44H39IN8.Co/c1-42(2,3)22-10-14-26-30(18-22)38-47-34(26)46-35-27-15-11-23(43(4,5)6)19-31(27)39(48-35)51-37-29-17-13-25(45)21-33(29)41(52-37)53-40-32-20-24(44(7,8)9)12-16-28(32)36(49-38)50-40;/h10-21H,1-9H3;/q-2;+2
• InChIKey: XKKTZONHKOVQOJ-UHFFFAOYSA-N
• XLogP: 10.62
• TPSA: 105.54 Ų
• H-Bond Acceptors: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	865.69
LogP ≤ 5	10.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);6,15,25-tritert-butyl-34-iodo-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+);6,15,25-tritert-butyl-34-iodo-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 10724298) is cobalt(2+);6,15,25-tritert-butyl-34-iodo-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+);6,15,25-tritert-butyl-34-iodo-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+);6,15,25-tritert-butyl-34-iodo-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)c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccc(C(C)(C)C)cc41)-c1cc(I)ccc1-3)c1cc(C(C)(C)C)ccc21.[Co+2].

What is the InChIKey of cobalt(2+);6,15,25-tritert-butyl-34-iodo-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 XKKTZONHKOVQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H39IN8.Co/c1-42(2,3)22-10-14-26-30(18-22)38-47-34(26)46-35-27-15-11-23(43(4,5)6)19-31(27)39(48-35)51-37-29-17-13-25(45)21-33(29)41(52-37)53-40-32-20-24(44(7,8)9)12-16-28(32)36(49-38)50-40;/h10-21H,1-9H3;/q-2;+2.

What are the key properties of cobalt(2+);6,15,25-tritert-butyl-34-iodo-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+);6,15,25-tritert-butyl-34-iodo-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 865.69 g/mol, XLogP of 10.62, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(2+);6,15,25-tritert-butyl-34-iodo-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 10724298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).