copper(1+);5,6,7,8,14,15,16,17,23,24-decachloro-2,11,20,29,37,38,39,40-octazanonacyclo[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),31,33,35-nonadecaene

C32H8Cl10CuN8+ — CID 135793886

About copper(1+);5,6,7,8,14,15,16,17,23,24-decachloro-2,11,20,29,37,38,39,40-octazanonacyclo[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),31,33,35-nonadecaene

copper(1+);5,6,7,8,14,15,16,17,23,24-decachloro-2,11,20,29,37,38,39,40-octazanonacyclo[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),31,33,35-nonadecaene (PubChem CID 135793886) has the molecular formula C32H8Cl10CuN8+ and a molecular weight of 922.55 g/mol. Its IUPAC name is copper(1+);5,6,7,8,14,15,16,17,23,24-decachloro-2,11,20,29,37,38,39,40-octazanonacyclo[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),31,33,35-nonadecaene.

Molecular Properties

• Compound Name: copper(1+);5,6,7,8,14,15,16,17,23,24-decachloro-2,11,20,29,37,38,39,40-octazanonacyclo[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),31,33,35-nonadecaene
• PubChem CID: 135793886
• Molecular Formula: C32H8Cl10CuN8+
• Molecular Weight: 922.55 g/mol
• Exact Mass: 916.70
• IUPAC Name: copper(1+);5,6,7,8,14,15,16,17,23,24-decachloro-2,11,20,29,37,38,39,40-octazanonacyclo[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),31,33,35-nonadecaene
• SMILES: Clc1ccc2c3nc4nc(nc5[nH]c(nc6nc(nc([nH]3)c2c1Cl)-c1c(Cl)c(Cl)c(Cl)c(Cl)c1-6)c1c(Cl)c(Cl)c(Cl)c(Cl)c51)-c1ccccc1-4.[Cu+]
• InChI: InChI=1S/C32H8Cl10N8.Cu/c33-10-6-5-9-11(16(10)34)28-46-27(9)44-25-7-3-1-2-4-8(7)26(43-25)45-29-12-13(18(36)22(40)21(39)17(12)35)31(48-29)50-32-15-14(30(47-28)49-32)19(37)23(41)24(42)20(15)38;/h1-6H,(H2,43,44,45,46,47,48,49,50);/q;+1
• InChIKey: LKBYLJLRICEWSX-UHFFFAOYSA-N
• XLogP: 13.40
• TPSA: 108.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	922.55
LogP ≤ 5	13.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of copper(1+);5,6,7,8,14,15,16,17,23,24-decachloro-2,11,20,29,37,38,39,40-octazanonacyclo[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),31,33,35-nonadecaene?

The IUPAC name of copper(1+);5,6,7,8,14,15,16,17,23,24-decachloro-2,11,20,29,37,38,39,40-octazanonacyclo[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),31,33,35-nonadecaene (CID 135793886) is copper(1+);5,6,7,8,14,15,16,17,23,24-decachloro-2,11,20,29,37,38,39,40-octazanonacyclo[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),31,33,35-nonadecaene.

What is the SMILES notation for copper(1+);5,6,7,8,14,15,16,17,23,24-decachloro-2,11,20,29,37,38,39,40-octazanonacyclo[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),31,33,35-nonadecaene?

The canonical SMILES for copper(1+);5,6,7,8,14,15,16,17,23,24-decachloro-2,11,20,29,37,38,39,40-octazanonacyclo[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),31,33,35-nonadecaene is Clc1ccc2c3nc4nc(nc5[nH]c(nc6nc(nc([nH]3)c2c1Cl)-c1c(Cl)c(Cl)c(Cl)c(Cl)c1-6)c1c(Cl)c(Cl)c(Cl)c(Cl)c51)-c1ccccc1-4.[Cu+].

What is the InChIKey of copper(1+);5,6,7,8,14,15,16,17,23,24-decachloro-2,11,20,29,37,38,39,40-octazanonacyclo[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),31,33,35-nonadecaene?

The InChIKey is LKBYLJLRICEWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H8Cl10N8.Cu/c33-10-6-5-9-11(16(10)34)28-46-27(9)44-25-7-3-1-2-4-8(7)26(43-25)45-29-12-13(18(36)22(40)21(39)17(12)35)31(48-29)50-32-15-14(30(47-28)49-32)19(37)23(41)24(42)20(15)38;/h1-6H,(H2,43,44,45,46,47,48,49,50);/q;+1.

What are the key properties of copper(1+);5,6,7,8,14,15,16,17,23,24-decachloro-2,11,20,29,37,38,39,40-octazanonacyclo[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),31,33,35-nonadecaene?

copper(1+);5,6,7,8,14,15,16,17,23,24-decachloro-2,11,20,29,37,38,39,40-octazanonacyclo[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),31,33,35-nonadecaene has a molecular weight of 922.55 g/mol, XLogP of 13.40, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for copper(1+);5,6,7,8,14,15,16,17,23,24-decachloro-2,11,20,29,37,38,39,40-octazanonacyclo[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),31,33,35-nonadecaene is sourced from PubChem (CID 135793886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).