tetracopper;N'-[[1-(4-aminophenyl)-1-[[diethylamino(sulfido)methylidene]hydrazinylidene]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-ethoxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-hydroxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-[4-(methylamino)phenyl]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate

C79H120Cu4N26O2S8 — CID 162236036

About tetracopper;N'-[[1-(4-aminophenyl)-1-[[diethylamino(sulfido)methylidene]hydrazinylidene]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-ethoxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-hydroxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-[4-(methylamino)phenyl]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate

tetracopper;N'-[[1-(4-aminophenyl)-1-[[diethylamino(sulfido)methylidene]hydrazinylidene]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-ethoxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-hydroxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-[4-(methylamino)phenyl]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate (PubChem CID 162236036) has the molecular formula C79H120Cu4N26O2S8 and a molecular weight of 1976.73 g/mol. Its IUPAC name is tetracopper;N'-[[1-(4-aminophenyl)-1-[[diethylamino(sulfido)methylidene]hydrazinylidene]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-ethoxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-hydroxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-[4-(methylamino)phenyl]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate.

Molecular Properties

• Compound Name: tetracopper;N'-[[1-(4-aminophenyl)-1-[[diethylamino(sulfido)methylidene]hydrazinylidene]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-ethoxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-hydroxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-[4-(methylamino)phenyl]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate
• PubChem CID: 162236036
• Molecular Formula: C79H120Cu4N26O2S8
• Molecular Weight: 1976.73 g/mol
• Exact Mass: 1972.50
• IUPAC Name: tetracopper;N'-[[1-(4-aminophenyl)-1-[[diethylamino(sulfido)methylidene]hydrazinylidene]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-ethoxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-hydroxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-[4-(methylamino)phenyl]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate
• SMILES: CCN(CC)C([S-])=NN=C(C)C(=NN=C([S-])N(CC)CC)c1ccc(N)cc1.CCN(CC)C([S-])=NN=C(C)C(=NN=C([S-])N(CC)CC)c1ccc(NC)cc1.CCN(CC)C([S-])=NN=C(C)C(=NN=C([S-])N(CC)CC)c1ccc(O)cc1.CCOc1ccc(C(=NN=C([S-])N(CC)CC)C(C)=NN=C([S-])N(CC)CC)cc1.[Cu+2].[Cu+2].[Cu+2].[Cu+2]
• InChI: InChI=1S/C21H34N6OS2.C20H33N7S2.C19H31N7S2.C19H30N6OS2.4Cu/c1-7-26(8-2)20(29)24-22-16(6)19(23-25-21(30)27(9-3)10-4)17-12-14-18(15-13-17)28-11-5;1-7-26(8-2)19(28)24-22-15(5)18(16-11-13-17(21-6)14-12-16)23-25-20(29)27(9-3)10-4;1-6-25(7-2)18(27)23-21-14(5)17(15-10-12-16(20)13-11-15)22-24-19(28)26(8-3)9-4;1-6-24(7-2)18(27)22-20-14(5)17(15-10-12-16(26)13-11-15)21-23-19(28)25(8-3)9-4;;;;/h12-15H,7-11H2,1-6H3,(H,24,29)(H,25,30);11-14,21H,7-10H2,1-6H3,(H,24,28)(H,25,29);10-13H,6-9,20H2,1-5H3,(H,23,27)(H,24,28);10-13,26H,6-9H2,1-5H3,(H,22,27)(H,23,28);;;;/q;;;;4*+2/p-8
• InChIKey: ZWBLYVPKXUXPBN-UHFFFAOYSA-F
• XLogP: 12.74
• TPSA: 291.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 35
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1976.73
LogP ≤ 5	12.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetracopper;N'-[[1-(4-aminophenyl)-1-[[diethylamino(sulfido)methylidene]hydrazinylidene]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-ethoxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-hydroxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-[4-(methylamino)phenyl]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate?

The IUPAC name of tetracopper;N'-[[1-(4-aminophenyl)-1-[[diethylamino(sulfido)methylidene]hydrazinylidene]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-ethoxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-hydroxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-[4-(methylamino)phenyl]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate (CID 162236036) is tetracopper;N'-[[1-(4-aminophenyl)-1-[[diethylamino(sulfido)methylidene]hydrazinylidene]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-ethoxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-hydroxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-[4-(methylamino)phenyl]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate.

What is the SMILES notation for tetracopper;N'-[[1-(4-aminophenyl)-1-[[diethylamino(sulfido)methylidene]hydrazinylidene]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-ethoxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-hydroxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-[4-(methylamino)phenyl]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate?

The canonical SMILES for tetracopper;N'-[[1-(4-aminophenyl)-1-[[diethylamino(sulfido)methylidene]hydrazinylidene]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-ethoxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-hydroxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-[4-(methylamino)phenyl]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate is CCN(CC)C([S-])=NN=C(C)C(=NN=C([S-])N(CC)CC)c1ccc(N)cc1.CCN(CC)C([S-])=NN=C(C)C(=NN=C([S-])N(CC)CC)c1ccc(NC)cc1.CCN(CC)C([S-])=NN=C(C)C(=NN=C([S-])N(CC)CC)c1ccc(O)cc1.CCOc1ccc(C(=NN=C([S-])N(CC)CC)C(C)=NN=C([S-])N(CC)CC)cc1.[Cu+2].[Cu+2].[Cu+2].[Cu+2].

What is the InChIKey of tetracopper;N'-[[1-(4-aminophenyl)-1-[[diethylamino(sulfido)methylidene]hydrazinylidene]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-ethoxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-hydroxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-[4-(methylamino)phenyl]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate?

The InChIKey is ZWBLYVPKXUXPBN-UHFFFAOYSA-F. The full InChI is InChI=1S/C21H34N6OS2.C20H33N7S2.C19H31N7S2.C19H30N6OS2.4Cu/c1-7-26(8-2)20(29)24-22-16(6)19(23-25-21(30)27(9-3)10-4)17-12-14-18(15-13-17)28-11-5;1-7-26(8-2)19(28)24-22-15(5)18(16-11-13-17(21-6)14-12-16)23-25-20(29)27(9-3)10-4;1-6-25(7-2)18(27)23-21-14(5)17(15-10-12-16(20)13-11-15)22-24-19(28)26(8-3)9-4;1-6-24(7-2)18(27)22-20-14(5)17(15-10-12-16(26)13-11-15)21-23-19(28)25(8-3)9-4;;;;/h12-15H,7-11H2,1-6H3,(H,24,29)(H,25,30);11-14,21H,7-10H2,1-6H3,(H,24,28)(H,25,29);10-13H,6-9,20H2,1-5H3,(H,23,27)(H,24,28);10-13,26H,6-9H2,1-5H3,(H,22,27)(H,23,28);;;;/q;;;;4*+2/p-8.

What are the key properties of tetracopper;N'-[[1-(4-aminophenyl)-1-[[diethylamino(sulfido)methylidene]hydrazinylidene]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-ethoxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-hydroxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-[4-(methylamino)phenyl]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate?

tetracopper;N'-[[1-(4-aminophenyl)-1-[[diethylamino(sulfido)methylidene]hydrazinylidene]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-ethoxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-hydroxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-[4-(methylamino)phenyl]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate has a molecular weight of 1976.73 g/mol, XLogP of 12.74, 35 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tetracopper;N'-[[1-(4-aminophenyl)-1-[[diethylamino(sulfido)methylidene]hydrazinylidene]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-ethoxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-hydroxyphenyl)propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate;N'-[[1-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-[4-(methylamino)phenyl]propan-2-ylidene]amino]-N,N-diethylcarbamimidothioate is sourced from PubChem (CID 162236036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).