copper 2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16(24),17,22,25(51),26,28(36),29,34,37,39(49),40(48),41,46-nonadecaene-7,9,19,21,31,33,43,45-octone

C40H12CuN12O8 — CID 138962531

About copper 2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16(24),17,22,25(51),26,28(36),29,34,37,39(49),40(48),41,46-nonadecaene-7,9,19,21,31,33,43,45-octone

copper 2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16(24),17,22,25(51),26,28(36),29,34,37,39(49),40(48),41,46-nonadecaene-7,9,19,21,31,33,43,45-octone (PubChem CID 138962531) has the molecular formula C40H12CuN12O8 and a molecular weight of 852.16 g/mol. Its IUPAC name is copper 2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16(24),17,22,25(51),26,28(36),29,34,37,39(49),40(48),41,46-nonadecaene-7,9,19,21,31,33,43,45-octone.

Molecular Properties

• Compound Name: copper 2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16(24),17,22,25(51),26,28(36),29,34,37,39(49),40(48),41,46-nonadecaene-7,9,19,21,31,33,43,45-octone
• PubChem CID: 138962531
• Molecular Formula: C40H12CuN12O8
• Molecular Weight: 852.16 g/mol
• Exact Mass: 851.02
• IUPAC Name: copper 2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16(24),17,22,25(51),26,28(36),29,34,37,39(49),40(48),41,46-nonadecaene-7,9,19,21,31,33,43,45-octone
• SMILES: O=C1NC(=O)c2cc3c(cc21)-c1nc-3nc2[n-]c(nc3nc(nc4[n-]c(n1)c1cc5c(cc41)C(=O)NC5=O)-c1cc4c(cc1-3)C(=O)NC4=O)c1cc3c(cc21)C(=O)NC3=O.[Cu+2]
• InChI: InChI=1S/C40H14N12O8.Cu/c53-33-17-1-9-10(2-18(17)34(54)49-33)26-41-25(9)45-27-11-3-19-20(36(56)50-35(19)55)4-12(11)29(42-27)47-31-15-7-23-24(40(60)52-39(23)59)8-16(15)32(44-31)48-30-14-6-22-21(37(57)51-38(22)58)5-13(14)28(43-30)46-26;/h1-8H,(H6,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60);/q;+2/p-2
• InChIKey: IQKOSZCJIOPVLC-UHFFFAOYSA-L
• XLogP: 1.66
• TPSA: 290.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	852.16
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of copper 2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16(24),17,22,25(51),26,28(36),29,34,37,39(49),40(48),41,46-nonadecaene-7,9,19,21,31,33,43,45-octone?

The IUPAC name of copper 2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16(24),17,22,25(51),26,28(36),29,34,37,39(49),40(48),41,46-nonadecaene-7,9,19,21,31,33,43,45-octone (CID 138962531) is copper 2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16(24),17,22,25(51),26,28(36),29,34,37,39(49),40(48),41,46-nonadecaene-7,9,19,21,31,33,43,45-octone.

What is the SMILES notation for copper 2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16(24),17,22,25(51),26,28(36),29,34,37,39(49),40(48),41,46-nonadecaene-7,9,19,21,31,33,43,45-octone?

The canonical SMILES for copper 2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16(24),17,22,25(51),26,28(36),29,34,37,39(49),40(48),41,46-nonadecaene-7,9,19,21,31,33,43,45-octone is O=C1NC(=O)c2cc3c(cc21)-c1nc-3nc2[n-]c(nc3nc(nc4[n-]c(n1)c1cc5c(cc41)C(=O)NC5=O)-c1cc4c(cc1-3)C(=O)NC4=O)c1cc3c(cc21)C(=O)NC3=O.[Cu+2].

What is the InChIKey of copper 2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16(24),17,22,25(51),26,28(36),29,34,37,39(49),40(48),41,46-nonadecaene-7,9,19,21,31,33,43,45-octone?

The InChIKey is IQKOSZCJIOPVLC-UHFFFAOYSA-L. The full InChI is InChI=1S/C40H14N12O8.Cu/c53-33-17-1-9-10(2-18(17)34(54)49-33)26-41-25(9)45-27-11-3-19-20(36(56)50-35(19)55)4-12(11)29(42-27)47-31-15-7-23-24(40(60)52-39(23)59)8-16(15)32(44-31)48-30-14-6-22-21(37(57)51-38(22)58)5-13(14)28(43-30)46-26;/h1-8H,(H6,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60);/q;+2/p-2.

What are the key properties of copper 2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16(24),17,22,25(51),26,28(36),29,34,37,39(49),40(48),41,46-nonadecaene-7,9,19,21,31,33,43,45-octone?

copper 2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16(24),17,22,25(51),26,28(36),29,34,37,39(49),40(48),41,46-nonadecaene-7,9,19,21,31,33,43,45-octone has a molecular weight of 852.16 g/mol, XLogP of 1.66, 0 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for copper 2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16(24),17,22,25(51),26,28(36),29,34,37,39(49),40(48),41,46-nonadecaene-7,9,19,21,31,33,43,45-octone is sourced from PubChem (CID 138962531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).