About tricopper;tris(N'-(3-aminopropyl)propane-1,3-diamine);carbonate;tetraperchlorate;dihydrate
tricopper;tris(N'-(3-aminopropyl)propane-1,3-diamine);carbonate;tetraperchlorate;dihydrate (PubChem CID 139154715) has the molecular formula C19H55Cl4Cu3N9O21
and a molecular weight of 1078.14 g/mol. Its IUPAC name is tricopper;tris(N'-(3-aminopropyl)propane-1,3-diamine);carbonate;tetraperchlorate;dihydrate.
Molecular Properties
| Compound Name | tricopper;tris(N'-(3-aminopropyl)propane-1,3-diamine);carbonate;tetraperchlorate;dihydrate |
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| PubChem CID | 139154715 |
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| Molecular Formula | C19H55Cl4Cu3N9O21 |
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| Molecular Weight | 1078.14 g/mol |
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| Exact Mass | 1074.02 |
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| IUPAC Name | tricopper;tris(N'-(3-aminopropyl)propane-1,3-diamine);carbonate;tetraperchlorate;dihydrate |
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| SMILES | NCCCNCCCN.NCCCNCCCN.NCCCNCCCN.O.O.O=C([O-])[O-].[Cu+2].[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-] |
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| InChI | InChI=1S/3C6H17N3.CH2O3.4ClHO4.3Cu.2H2O/c3*7-3-1-5-9-6-2-4-8;2-1(3)4;4*2-1(3,4)5;;;;;/h3*9H,1-8H2;(H2,2,3,4);4*(H,2,3,4,5);;;;2*1H2/q;;;;;;;;3*+2;;/p-6 |
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| InChIKey | QDFXYFJZEJCVNC-UHFFFAOYSA-H |
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| XLogP | -25.31 |
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| TPSA | 687.36 Ų |
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| H-Bond Donors | 9 |
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| H-Bond Acceptors | 28 |
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| Rotatable Bonds | 18 |
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| Heavy Atoms | 56 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1078.14 |
| LogP ≤ 5 | -25.31 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 28 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of tricopper;tris(N'-(3-aminopropyl)propane-1,3-diamine);carbonate;tetraperchlorate;dihydrate?
The IUPAC name of tricopper;tris(N'-(3-aminopropyl)propane-1,3-diamine);carbonate;tetraperchlorate;dihydrate (CID 139154715) is tricopper;tris(N'-(3-aminopropyl)propane-1,3-diamine);carbonate;tetraperchlorate;dihydrate.
What is the SMILES notation for tricopper;tris(N'-(3-aminopropyl)propane-1,3-diamine);carbonate;tetraperchlorate;dihydrate?
The canonical SMILES for tricopper;tris(N'-(3-aminopropyl)propane-1,3-diamine);carbonate;tetraperchlorate;dihydrate is NCCCNCCCN.NCCCNCCCN.NCCCNCCCN.O.O.O=C([O-])[O-].[Cu+2].[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of tricopper;tris(N'-(3-aminopropyl)propane-1,3-diamine);carbonate;tetraperchlorate;dihydrate?
The InChIKey is QDFXYFJZEJCVNC-UHFFFAOYSA-H. The full InChI is InChI=1S/3C6H17N3.CH2O3.4ClHO4.3Cu.2H2O/c3*7-3-1-5-9-6-2-4-8;2-1(3)4;4*2-1(3,4)5;;;;;/h3*9H,1-8H2;(H2,2,3,4);4*(H,2,3,4,5);;;;2*1H2/q;;;;;;;;3*+2;;/p-6.
What are the key properties of tricopper;tris(N'-(3-aminopropyl)propane-1,3-diamine);carbonate;tetraperchlorate;dihydrate?
tricopper;tris(N'-(3-aminopropyl)propane-1,3-diamine);carbonate;tetraperchlorate;dihydrate has a molecular weight of 1078.14 g/mol, XLogP of -25.31, 18 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for tricopper;tris(N'-(3-aminopropyl)propane-1,3-diamine);carbonate;tetraperchlorate;dihydrate is sourced from PubChem (CID 139154715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).