magnesium 2,5,11,17,20,23,29,35,37,39-decaza-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

C28H12MgN12 — CID 134915688

About magnesium 2,5,11,17,20,23,29,35,37,39-decaza-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

magnesium 2,5,11,17,20,23,29,35,37,39-decaza-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 134915688) has the molecular formula C28H12MgN12 and a molecular weight of 540.79 g/mol. Its IUPAC name is magnesium 2,5,11,17,20,23,29,35,37,39-decaza-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: magnesium 2,5,11,17,20,23,29,35,37,39-decaza-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: 134915688
• Molecular Formula: C28H12MgN12
• Molecular Weight: 540.79 g/mol
• Exact Mass: 540.12
• IUPAC Name: magnesium 2,5,11,17,20,23,29,35,37,39-decaza-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: [Mg+2].c1cnc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1cccnc41)-c1ncccc1-3)c1cccnc21
• InChI: InChI=1S/C28H12N12.Mg/c1-5-13-17(29-9-1)25-35-21(13)33-22-14-6-2-10-30-18(14)27(36-22)40-28-20-16(8-4-12-32-20)24(38-28)34-23-15-7-3-11-31-19(15)26(37-23)39-25;/h1-12H;/q-2;+2
• InChIKey: ZHPYXHXHAQIJRV-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 157.10 Ų
• H-Bond Acceptors: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.79
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of magnesium 2,5,11,17,20,23,29,35,37,39-decaza-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 magnesium 2,5,11,17,20,23,29,35,37,39-decaza-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 134915688) is magnesium 2,5,11,17,20,23,29,35,37,39-decaza-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 magnesium 2,5,11,17,20,23,29,35,37,39-decaza-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 magnesium 2,5,11,17,20,23,29,35,37,39-decaza-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 [Mg+2].c1cnc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1cccnc41)-c1ncccc1-3)c1cccnc21.

What is the InChIKey of magnesium 2,5,11,17,20,23,29,35,37,39-decaza-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 ZHPYXHXHAQIJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H12N12.Mg/c1-5-13-17(29-9-1)25-35-21(13)33-22-14-6-2-10-30-18(14)27(36-22)40-28-20-16(8-4-12-32-20)24(38-28)34-23-15-7-3-11-31-19(15)26(37-23)39-25;/h1-12H;/q-2;+2.

What are the key properties of magnesium 2,5,11,17,20,23,29,35,37,39-decaza-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?

magnesium 2,5,11,17,20,23,29,35,37,39-decaza-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 540.79 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium 2,5,11,17,20,23,29,35,37,39-decaza-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 134915688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).