copper(1+);ethane;38-methyl-2,11,20,29,37,38,39-heptaza-40-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene

C35H25CuN8 — CID 142205319

About copper(1+);ethane;38-methyl-2,11,20,29,37,38,39-heptaza-40-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene

copper(1+);ethane;38-methyl-2,11,20,29,37,38,39-heptaza-40-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene (PubChem CID 142205319) has the molecular formula C35H25CuN8 and a molecular weight of 621.19 g/mol. Its IUPAC name is copper(1+);ethane;38-methyl-2,11,20,29,37,38,39-heptaza-40-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene.

Molecular Properties

• Compound Name: copper(1+);ethane;38-methyl-2,11,20,29,37,38,39-heptaza-40-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene
• PubChem CID: 142205319
• Molecular Formula: C35H25CuN8
• Molecular Weight: 621.19 g/mol
• Exact Mass: 620.15
• IUPAC Name: copper(1+);ethane;38-methyl-2,11,20,29,37,38,39-heptaza-40-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene
• SMILES: CC.Cn1c2nc3nc(nc4[n-]c(nc5nc(nc1c1ccccc12)-c1ccccc1-5)c1ccccc41)-c1ccccc1-3.[Cu+]
• InChI: InChI=1S/C33H19N8.C2H6.Cu/c1-41-32-24-16-8-9-17-25(24)33(41)40-31-23-15-7-5-13-21(23)29(38-31)36-27-19-11-3-2-10-18(19)26(34-27)35-28-20-12-4-6-14-22(20)30(37-28)39-32;1-2;/h2-17H,1H3;1-2H3;/q-1;;+1
• InChIKey: PWDFYBPIFSTUNI-UHFFFAOYSA-N
• XLogP: 7.53
• TPSA: 96.37 Ų
• H-Bond Acceptors: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.19
LogP ≤ 5	7.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of copper(1+);ethane;38-methyl-2,11,20,29,37,38,39-heptaza-40-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene?

The IUPAC name of copper(1+);ethane;38-methyl-2,11,20,29,37,38,39-heptaza-40-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene (CID 142205319) is copper(1+);ethane;38-methyl-2,11,20,29,37,38,39-heptaza-40-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene.

What is the SMILES notation for copper(1+);ethane;38-methyl-2,11,20,29,37,38,39-heptaza-40-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene?

The canonical SMILES for copper(1+);ethane;38-methyl-2,11,20,29,37,38,39-heptaza-40-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene is CC.Cn1c2nc3nc(nc4[n-]c(nc5nc(nc1c1ccccc12)-c1ccccc1-5)c1ccccc41)-c1ccccc1-3.[Cu+].

What is the InChIKey of copper(1+);ethane;38-methyl-2,11,20,29,37,38,39-heptaza-40-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene?

The InChIKey is PWDFYBPIFSTUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19N8.C2H6.Cu/c1-41-32-24-16-8-9-17-25(24)33(41)40-31-23-15-7-5-13-21(23)29(38-31)36-27-19-11-3-2-10-18(19)26(34-27)35-28-20-12-4-6-14-22(20)30(37-28)39-32;1-2;/h2-17H,1H3;1-2H3;/q-1;;+1.

What are the key properties of copper(1+);ethane;38-methyl-2,11,20,29,37,38,39-heptaza-40-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene?

copper(1+);ethane;38-methyl-2,11,20,29,37,38,39-heptaza-40-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene has a molecular weight of 621.19 g/mol, XLogP of 7.53, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for copper(1+);ethane;38-methyl-2,11,20,29,37,38,39-heptaza-40-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene is sourced from PubChem (CID 142205319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).