copper;prop-2-enal;5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-34-methoxy-34-methyl-2,11,20,29,39,41-hexaza-38,40-diazanidanonacyclo[28.7.1.13,10.112,19.121,28.04,9.013,18.022,27.031,37]hentetraconta-1(37),2,4(9),5,7,10(41),11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,35-nonadecaene

C66H82CuN8O6 — CID 143448024

About copper;prop-2-enal;5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-34-methoxy-34-methyl-2,11,20,29,39,41-hexaza-38,40-diazanidanonacyclo[28.7.1.13,10.112,19.121,28.04,9.013,18.022,27.031,37]hentetraconta-1(37),2,4(9),5,7,10(41),11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,35-nonadecaene

copper;prop-2-enal;5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-34-methoxy-34-methyl-2,11,20,29,39,41-hexaza-38,40-diazanidanonacyclo[28.7.1.13,10.112,19.121,28.04,9.013,18.022,27.031,37]hentetraconta-1(37),2,4(9),5,7,10(41),11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,35-nonadecaene (PubChem CID 143448024) has the molecular formula C66H82CuN8O6 and a molecular weight of 1146.98 g/mol. Its IUPAC name is copper;prop-2-enal;5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-34-methoxy-34-methyl-2,11,20,29,39,41-hexaza-38,40-diazanidanonacyclo[28.7.1.13,10.112,19.121,28.04,9.013,18.022,27.031,37]hentetraconta-1(37),2,4(9),5,7,10(41),11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,35-nonadecaene.

Molecular Properties

• Compound Name: copper;prop-2-enal;5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-34-methoxy-34-methyl-2,11,20,29,39,41-hexaza-38,40-diazanidanonacyclo[28.7.1.13,10.112,19.121,28.04,9.013,18.022,27.031,37]hentetraconta-1(37),2,4(9),5,7,10(41),11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,35-nonadecaene
• PubChem CID: 143448024
• Molecular Formula: C66H82CuN8O6
• Molecular Weight: 1146.98 g/mol
• Exact Mass: 1145.57
• IUPAC Name: copper;prop-2-enal;5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-34-methoxy-34-methyl-2,11,20,29,39,41-hexaza-38,40-diazanidanonacyclo[28.7.1.13,10.112,19.121,28.04,9.013,18.022,27.031,37]hentetraconta-1(37),2,4(9),5,7,10(41),11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,35-nonadecaene
• SMILES: C=CC=O.COC1(C)C=Cc2c(c3nc4nc(nc5[n-]c(nc6nc(nc2[n-]3)-c2c(OC(C(C)C)C(C)C)cccc2-6)c2c(OC(C(C)C)C(C)C)cccc52)-c2c(OC(C(C)C)C(C)C)cccc2-4)C(OC(C(C)C)C(C)C)=C1.[Cu+2]
• InChI: InChI=1S/C63H78N8O5.C3H4O.Cu/c1-31(2)51(32(3)4)73-43-25-19-22-39-47(43)59-64-55(39)65-60-48-41(24-21-26-44(48)74-52(33(5)6)34(7)8)57(68-60)69-62-50-42(28-29-63(17,72-18)30-46(50)76-54(37(13)14)38(15)16)58(71-62)70-61-49-40(56(66-59)67-61)23-20-27-45(49)75-53(35(9)10)36(11)12;1-2-3-4;/h19-38,51-54H,1-18H3;2-3H,1H2;/q-2;;+2
• InChIKey: STOJVMNVDXZBGC-UHFFFAOYSA-N
• XLogP: 14.99
• TPSA: 168.76 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1146.98
LogP ≤ 5	14.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of copper;prop-2-enal;5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-34-methoxy-34-methyl-2,11,20,29,39,41-hexaza-38,40-diazanidanonacyclo[28.7.1.13,10.112,19.121,28.04,9.013,18.022,27.031,37]hentetraconta-1(37),2,4(9),5,7,10(41),11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,35-nonadecaene?

The IUPAC name of copper;prop-2-enal;5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-34-methoxy-34-methyl-2,11,20,29,39,41-hexaza-38,40-diazanidanonacyclo[28.7.1.13,10.112,19.121,28.04,9.013,18.022,27.031,37]hentetraconta-1(37),2,4(9),5,7,10(41),11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,35-nonadecaene (CID 143448024) is copper;prop-2-enal;5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-34-methoxy-34-methyl-2,11,20,29,39,41-hexaza-38,40-diazanidanonacyclo[28.7.1.13,10.112,19.121,28.04,9.013,18.022,27.031,37]hentetraconta-1(37),2,4(9),5,7,10(41),11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,35-nonadecaene.

What is the SMILES notation for copper;prop-2-enal;5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-34-methoxy-34-methyl-2,11,20,29,39,41-hexaza-38,40-diazanidanonacyclo[28.7.1.13,10.112,19.121,28.04,9.013,18.022,27.031,37]hentetraconta-1(37),2,4(9),5,7,10(41),11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,35-nonadecaene?

The canonical SMILES for copper;prop-2-enal;5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-34-methoxy-34-methyl-2,11,20,29,39,41-hexaza-38,40-diazanidanonacyclo[28.7.1.13,10.112,19.121,28.04,9.013,18.022,27.031,37]hentetraconta-1(37),2,4(9),5,7,10(41),11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,35-nonadecaene is C=CC=O.COC1(C)C=Cc2c(c3nc4nc(nc5[n-]c(nc6nc(nc2[n-]3)-c2c(OC(C(C)C)C(C)C)cccc2-6)c2c(OC(C(C)C)C(C)C)cccc52)-c2c(OC(C(C)C)C(C)C)cccc2-4)C(OC(C(C)C)C(C)C)=C1.[Cu+2].

What is the InChIKey of copper;prop-2-enal;5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-34-methoxy-34-methyl-2,11,20,29,39,41-hexaza-38,40-diazanidanonacyclo[28.7.1.13,10.112,19.121,28.04,9.013,18.022,27.031,37]hentetraconta-1(37),2,4(9),5,7,10(41),11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,35-nonadecaene?

The InChIKey is STOJVMNVDXZBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H78N8O5.C3H4O.Cu/c1-31(2)51(32(3)4)73-43-25-19-22-39-47(43)59-64-55(39)65-60-48-41(24-21-26-44(48)74-52(33(5)6)34(7)8)57(68-60)69-62-50-42(28-29-63(17,72-18)30-46(50)76-54(37(13)14)38(15)16)58(71-62)70-61-49-40(56(66-59)67-61)23-20-27-45(49)75-53(35(9)10)36(11)12;1-2-3-4;/h19-38,51-54H,1-18H3;2-3H,1H2;/q-2;;+2.

What are the key properties of copper;prop-2-enal;5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-34-methoxy-34-methyl-2,11,20,29,39,41-hexaza-38,40-diazanidanonacyclo[28.7.1.13,10.112,19.121,28.04,9.013,18.022,27.031,37]hentetraconta-1(37),2,4(9),5,7,10(41),11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,35-nonadecaene?

copper;prop-2-enal;5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-34-methoxy-34-methyl-2,11,20,29,39,41-hexaza-38,40-diazanidanonacyclo[28.7.1.13,10.112,19.121,28.04,9.013,18.022,27.031,37]hentetraconta-1(37),2,4(9),5,7,10(41),11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,35-nonadecaene has a molecular weight of 1146.98 g/mol, XLogP of 14.99, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for copper;prop-2-enal;5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-34-methoxy-34-methyl-2,11,20,29,39,41-hexaza-38,40-diazanidanonacyclo[28.7.1.13,10.112,19.121,28.04,9.013,18.022,27.031,37]hentetraconta-1(37),2,4(9),5,7,10(41),11,13(18),14,16,19,21(39),22(27),23,25,28,30,32,35-nonadecaene is sourced from PubChem (CID 143448024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).