zinc 24,33-diformamido-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,15-dicarboxamide

C36H20N12O4Zn — CID 58309874

IUPACzinc 24,33-diformamido-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,15-dicarboxamide
SMILESNC(=O)c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccc(C(N)=O)cc41)-c1ccc(NC=O)cc1-3)c1ccc(NC=O)cc21.[Zn+2]
InChIInChI=1S/C36H22N12O4.Zn/c37-27(51)15-1-5-19-23(9-15)34-42-29(19)41-33-24-10-16(28(38)52)2-6-20(24)30(43-33)45-35-26-12-18(40-14-50)4-8-22(26)32(47-35)48-36-25-11-17(39-13-49)3-7-21(25)31(44-34)46-36;/h1-14H,(H8,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52);/q;+2/p-2
InChIKeyUYWHKGVBKBDGTM-UHFFFAOYSA-L
MW750.03 g/mol
LogP3.46
Rot. Bonds6

About zinc 24,33-diformamido-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,15-dicarboxamide

zinc 24,33-diformamido-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,15-dicarboxamide (PubChem CID 58309874) has the molecular formula C36H20N12O4Zn and a molecular weight of 750.03 g/mol. Its IUPAC name is zinc 24,33-diformamido-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,15-dicarboxamide.

Molecular Properties

Compound Namezinc 24,33-diformamido-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,15-dicarboxamide
PubChem CID58309874
Molecular FormulaC36H20N12O4Zn
Molecular Weight750.03 g/mol
Exact Mass748.10
IUPAC Namezinc 24,33-diformamido-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,15-dicarboxamide
SMILESNC(=O)c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccc(C(N)=O)cc41)-c1ccc(NC=O)cc1-3)c1ccc(NC=O)cc21.[Zn+2]
InChIInChI=1S/C36H22N12O4.Zn/c37-27(51)15-1-5-19-23(9-15)34-42-29(19)41-33-24-10-16(28(38)52)2-6-20(24)30(43-33)45-35-26-12-18(40-14-50)4-8-22(26)32(47-35)48-36-25-11-17(39-13-49)3-7-21(25)31(44-34)46-36;/h1-14H,(H8,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52);/q;+2/p-2
InChIKeyUYWHKGVBKBDGTM-UHFFFAOYSA-L
XLogP3.46
TPSA249.92 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500750.03
LogP ≤ 53.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze zinc 24,33-diformamido-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,15-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of zinc 24,33-diformamido-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,15-dicarboxamide?
The IUPAC name of zinc 24,33-diformamido-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,15-dicarboxamide (CID 58309874) is zinc 24,33-diformamido-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,15-dicarboxamide.
What is the SMILES notation for zinc 24,33-diformamido-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,15-dicarboxamide?
The canonical SMILES for zinc 24,33-diformamido-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,15-dicarboxamide is NC(=O)c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccc(C(N)=O)cc41)-c1ccc(NC=O)cc1-3)c1ccc(NC=O)cc21.[Zn+2].
What is the InChIKey of zinc 24,33-diformamido-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,15-dicarboxamide?
The InChIKey is UYWHKGVBKBDGTM-UHFFFAOYSA-L. The full InChI is InChI=1S/C36H22N12O4.Zn/c37-27(51)15-1-5-19-23(9-15)34-42-29(19)41-33-24-10-16(28(38)52)2-6-20(24)30(43-33)45-35-26-12-18(40-14-50)4-8-22(26)32(47-35)48-36-25-11-17(39-13-49)3-7-21(25)31(44-34)46-36;/h1-14H,(H8,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52);/q;+2/p-2.
What are the key properties of zinc 24,33-diformamido-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,15-dicarboxamide?
zinc 24,33-diformamido-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,15-dicarboxamide has a molecular weight of 750.03 g/mol, XLogP of 3.46, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 24,33-diformamido-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,15-dicarboxamide is sourced from PubChem (CID 58309874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).