zinc 6,7-dipyridin-4-yloxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene

C42H22N10O2Zn — CID 10123225

About zinc 6,7-dipyridin-4-yloxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene

zinc 6,7-dipyridin-4-yloxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene (PubChem CID 10123225) has the molecular formula C42H22N10O2Zn and a molecular weight of 764.10 g/mol. Its IUPAC name is zinc 6,7-dipyridin-4-yloxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene.

Molecular Properties

• Compound Name: zinc 6,7-dipyridin-4-yloxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene
• PubChem CID: 10123225
• Molecular Formula: C42H22N10O2Zn
• Molecular Weight: 764.10 g/mol
• Exact Mass: 762.12
• IUPAC Name: zinc 6,7-dipyridin-4-yloxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene
• SMILES: [Zn+2].c1ccc2c(c1)-c1nc3nc(nc4[n-]c(nc5[n-]c(nc-2n1)c1ccccc51)c1cc(Oc2ccncc2)c(Oc2ccncc2)cc41)-c1ccccc1-3
• InChI: InChI=1S/C42H22N10O2.Zn/c1-2-8-26-25(7-1)35-45-36(26)47-38-28-10-4-6-12-30(28)40(49-38)51-42-32-22-34(54-24-15-19-44-20-16-24)33(53-23-13-17-43-18-14-23)21-31(32)41(52-42)50-39-29-11-5-3-9-27(29)37(46-35)48-39;/h1-22H;/q-2;+2
• InChIKey: OVYAAKAXSGQZCK-UHFFFAOYSA-N
• XLogP: 8.50
• TPSA: 149.78 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.10
LogP ≤ 5	8.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of zinc 6,7-dipyridin-4-yloxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene?

The IUPAC name of zinc 6,7-dipyridin-4-yloxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene (CID 10123225) is zinc 6,7-dipyridin-4-yloxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene.

What is the SMILES notation for zinc 6,7-dipyridin-4-yloxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene?

The canonical SMILES for zinc 6,7-dipyridin-4-yloxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene is [Zn+2].c1ccc2c(c1)-c1nc3nc(nc4[n-]c(nc5[n-]c(nc-2n1)c1ccccc51)c1cc(Oc2ccncc2)c(Oc2ccncc2)cc41)-c1ccccc1-3.

What is the InChIKey of zinc 6,7-dipyridin-4-yloxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene?

The InChIKey is OVYAAKAXSGQZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H22N10O2.Zn/c1-2-8-26-25(7-1)35-45-36(26)47-38-28-10-4-6-12-30(28)40(49-38)51-42-32-22-34(54-24-15-19-44-20-16-24)33(53-23-13-17-43-18-14-23)21-31(32)41(52-42)50-39-29-11-5-3-9-27(29)37(46-35)48-39;/h1-22H;/q-2;+2.

What are the key properties of zinc 6,7-dipyridin-4-yloxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene?

zinc 6,7-dipyridin-4-yloxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene has a molecular weight of 764.10 g/mol, XLogP of 8.50, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for zinc 6,7-dipyridin-4-yloxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene is sourced from PubChem (CID 10123225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).