About bis(copper(1+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetraphenylboranuide;bromide
bis(copper(1+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetraphenylboranuide;bromide (PubChem CID 139132655) has the molecular formula C60H56BBrCu2N8
and a molecular weight of 1106.97 g/mol. Its IUPAC name is bis(copper(1+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetraphenylboranuide;bromide.
Molecular Properties
| Compound Name | bis(copper(1+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetraphenylboranuide;bromide |
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| PubChem CID | 139132655 |
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| Molecular Formula | C60H56BBrCu2N8 |
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| Molecular Weight | 1106.97 g/mol |
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| Exact Mass | 1104.25 |
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| IUPAC Name | bis(copper(1+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetraphenylboranuide;bromide |
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| SMILES | [Br-].[Cu+].[Cu+].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 |
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| InChI | InChI=1S/C24H20B.2C18H18N4.BrH.2Cu/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;;;/h1-20H;2*1-12H,13-15H2;1H;;/q-1;;;;2*+1/p-1 |
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| InChIKey | SZQNRTOWTQYEHJ-UHFFFAOYSA-M |
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| XLogP | 6.21 |
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| TPSA | 83.82 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 16 |
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| Heavy Atoms | 72 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1106.97 |
| LogP ≤ 5 | 6.21 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of bis(copper(1+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetraphenylboranuide;bromide?
The IUPAC name of bis(copper(1+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetraphenylboranuide;bromide (CID 139132655) is bis(copper(1+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetraphenylboranuide;bromide.
What is the SMILES notation for bis(copper(1+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetraphenylboranuide;bromide?
The canonical SMILES for bis(copper(1+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetraphenylboranuide;bromide is [Br-].[Cu+].[Cu+].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(copper(1+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetraphenylboranuide;bromide?
The InChIKey is SZQNRTOWTQYEHJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H20B.2C18H18N4.BrH.2Cu/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;;;/h1-20H;2*1-12H,13-15H2;1H;;/q-1;;;;2*+1/p-1.
What are the key properties of bis(copper(1+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetraphenylboranuide;bromide?
bis(copper(1+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetraphenylboranuide;bromide has a molecular weight of 1106.97 g/mol, XLogP of 6.21, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(copper(1+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetraphenylboranuide;bromide is sourced from PubChem (CID 139132655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).