copper(1+);5,6,7-trimethyl-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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene

C35H24CuN8+ — CID 135738583

About copper(1+);5,6,7-trimethyl-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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene

copper(1+);5,6,7-trimethyl-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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene (PubChem CID 135738583) has the molecular formula C35H24CuN8+ and a molecular weight of 620.18 g/mol. Its IUPAC name is copper(1+);5,6,7-trimethyl-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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene.

Molecular Properties

• Compound Name: copper(1+);5,6,7-trimethyl-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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
• PubChem CID: 135738583
• Molecular Formula: C35H24CuN8+
• Molecular Weight: 620.18 g/mol
• Exact Mass: 619.14
• IUPAC Name: copper(1+);5,6,7-trimethyl-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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
• SMILES: Cc1cc2c3nc4nc(nc5[nH]c(nc6nc(nc([nH]3)c2c(C)c1C)-c1ccccc1-6)c1ccccc51)-c1ccccc1-4.[Cu+]
• InChI: InChI=1S/C35H24N8.Cu/c1-17-16-26-27(19(3)18(17)2)35-42-33-25-15-9-8-14-24(25)31(40-33)38-29-21-11-5-4-10-20(21)28(36-29)37-30-22-12-6-7-13-23(22)32(39-30)41-34(26)43-35;/h4-16H,1-3H3,(H2,36,37,38,39,40,41,42,43);/q;+1
• InChIKey: JSIIKCYHBCVBAQ-UHFFFAOYSA-N
• XLogP: 7.79
• TPSA: 108.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.18
LogP ≤ 5	7.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of copper(1+);5,6,7-trimethyl-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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene?

The IUPAC name of copper(1+);5,6,7-trimethyl-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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene (CID 135738583) is copper(1+);5,6,7-trimethyl-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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene.

What is the SMILES notation for copper(1+);5,6,7-trimethyl-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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene?

The canonical SMILES for copper(1+);5,6,7-trimethyl-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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene is Cc1cc2c3nc4nc(nc5[nH]c(nc6nc(nc([nH]3)c2c(C)c1C)-c1ccccc1-6)c1ccccc51)-c1ccccc1-4.[Cu+].

What is the InChIKey of copper(1+);5,6,7-trimethyl-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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene?

The InChIKey is JSIIKCYHBCVBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N8.Cu/c1-17-16-26-27(19(3)18(17)2)35-42-33-25-15-9-8-14-24(25)31(40-33)38-29-21-11-5-4-10-20(21)28(36-29)37-30-22-12-6-7-13-23(22)32(39-30)41-34(26)43-35;/h4-16H,1-3H3,(H2,36,37,38,39,40,41,42,43);/q;+1.

What are the key properties of copper(1+);5,6,7-trimethyl-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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene?

copper(1+);5,6,7-trimethyl-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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene has a molecular weight of 620.18 g/mol, XLogP of 7.79, 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-trimethyl-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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene is sourced from PubChem (CID 135738583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).