nickel(2+);6,7,15,16,24,25,33,34-octabutyl-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

C64H80N8Ni — CID 13014808

About nickel(2+);6,7,15,16,24,25,33,34-octabutyl-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

nickel(2+);6,7,15,16,24,25,33,34-octabutyl-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 13014808) has the molecular formula C64H80N8Ni and a molecular weight of 1020.09 g/mol. Its IUPAC name is nickel(2+);6,7,15,16,24,25,33,34-octabutyl-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: nickel(2+);6,7,15,16,24,25,33,34-octabutyl-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: 13014808
• Molecular Formula: C64H80N8Ni
• Molecular Weight: 1020.09 g/mol
• Exact Mass: 1018.59
• IUPAC Name: nickel(2+);6,7,15,16,24,25,33,34-octabutyl-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: CCCCc1cc2c(cc1CCCC)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1cc(CCCC)c(CCCC)cc41)-c1cc(CCCC)c(CCCC)cc1-3)c1cc(CCCC)c(CCCC)cc21.[Ni+2]
• InChI: InChI=1S/C64H80N8.Ni/c1-9-17-25-41-33-49-50(34-42(41)26-18-10-2)58-65-57(49)69-59-51-35-43(27-19-11-3)44(28-20-12-4)36-52(51)61(66-59)71-63-55-39-47(31-23-15-7)48(32-24-16-8)40-56(55)64(68-63)72-62-54-38-46(30-22-14-6)45(29-21-13-5)37-53(54)60(67-62)70-58;/h33-40H,9-32H2,1-8H3;/q-2;+2
• InChIKey: JTDJBZGBFKJLJZ-UHFFFAOYSA-N
• XLogP: 16.87
• TPSA: 105.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 24
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1020.09
LogP ≤ 5	16.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of nickel(2+);6,7,15,16,24,25,33,34-octabutyl-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 nickel(2+);6,7,15,16,24,25,33,34-octabutyl-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 13014808) is nickel(2+);6,7,15,16,24,25,33,34-octabutyl-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 nickel(2+);6,7,15,16,24,25,33,34-octabutyl-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 nickel(2+);6,7,15,16,24,25,33,34-octabutyl-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 CCCCc1cc2c(cc1CCCC)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1cc(CCCC)c(CCCC)cc41)-c1cc(CCCC)c(CCCC)cc1-3)c1cc(CCCC)c(CCCC)cc21.[Ni+2].

What is the InChIKey of nickel(2+);6,7,15,16,24,25,33,34-octabutyl-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 JTDJBZGBFKJLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H80N8.Ni/c1-9-17-25-41-33-49-50(34-42(41)26-18-10-2)58-65-57(49)69-59-51-35-43(27-19-11-3)44(28-20-12-4)36-52(51)61(66-59)71-63-55-39-47(31-23-15-7)48(32-24-16-8)40-56(55)64(68-63)72-62-54-38-46(30-22-14-6)45(29-21-13-5)37-53(54)60(67-62)70-58;/h33-40H,9-32H2,1-8H3;/q-2;+2.

What are the key properties of nickel(2+);6,7,15,16,24,25,33,34-octabutyl-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?

nickel(2+);6,7,15,16,24,25,33,34-octabutyl-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 1020.09 g/mol, XLogP of 16.87, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for nickel(2+);6,7,15,16,24,25,33,34-octabutyl-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 13014808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).