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

C120H168CuN8O4-2 — CID 158579844

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

copper;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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;tetrakis(1-methoxy-3-pentadecylbenzene) (PubChem CID 158579844) has the molecular formula C120H168CuN8O4-2 and a molecular weight of 1850.26 g/mol. Its IUPAC name is copper;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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;tetrakis(1-methoxy-3-pentadecylbenzene).

Molecular Properties

• Compound Name: copper;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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;tetrakis(1-methoxy-3-pentadecylbenzene)
• PubChem CID: 158579844
• Molecular Formula: C120H168CuN8O4-2
• Molecular Weight: 1850.26 g/mol
• Exact Mass: 1848.25
• IUPAC Name: copper;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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;tetrakis(1-methoxy-3-pentadecylbenzene)
• SMILES: CCCCCCCCCCCCCCCc1cccc(OC)c1.CCCCCCCCCCCCCCCc1cccc(OC)c1.CCCCCCCCCCCCCCCc1cccc(OC)c1.CCCCCCCCCCCCCCCc1cccc(OC)c1.[Cu].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21
• InChI: InChI=1S/C32H16N8.4C22H38O.Cu/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;4*1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-18-16-19-22(20-21)23-2;/h1-16H;4*16,18-20H,3-15,17H2,1-2H3;/q-2
• InChIKey: FURLXZBOCYIUOG-UHFFFAOYSA-N
• XLogP: 35.44
• TPSA: 142.46 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 60
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1850.26
LogP ≤ 5	35.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of copper;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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;tetrakis(1-methoxy-3-pentadecylbenzene) (CID 158579844) is copper;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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;tetrakis(1-methoxy-3-pentadecylbenzene).

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

The canonical SMILES for copper;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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;tetrakis(1-methoxy-3-pentadecylbenzene) is CCCCCCCCCCCCCCCc1cccc(OC)c1.CCCCCCCCCCCCCCCc1cccc(OC)c1.CCCCCCCCCCCCCCCc1cccc(OC)c1.CCCCCCCCCCCCCCCc1cccc(OC)c1.[Cu].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.

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

The InChIKey is FURLXZBOCYIUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H16N8.4C22H38O.Cu/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;4*1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-18-16-19-22(20-21)23-2;/h1-16H;4*16,18-20H,3-15,17H2,1-2H3;/q-2;;;;;.

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

copper;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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;tetrakis(1-methoxy-3-pentadecylbenzene) has a molecular weight of 1850.26 g/mol, XLogP of 35.44, 60 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for copper;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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;tetrakis(1-methoxy-3-pentadecylbenzene) is sourced from PubChem (CID 158579844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).