About octakis([(Z)-N-(N,N-diethylcarbamimidoyl)-C-phenylcarbonimidoyl]-phenylazanide);tetrakis(platinum(2+))
octakis([(Z)-N-(N,N-diethylcarbamimidoyl)-C-phenylcarbonimidoyl]-phenylazanide);tetrakis(platinum(2+)) (PubChem CID 139129527) has the molecular formula C144H168N32Pt4
and a molecular weight of 3127.46 g/mol. Its IUPAC name is octakis([(Z)-N-(N,N-diethylcarbamimidoyl)-C-phenylcarbonimidoyl]-phenylazanide);tetrakis(platinum(2+)).
Molecular Properties
| Compound Name | octakis([(Z)-N-(N,N-diethylcarbamimidoyl)-C-phenylcarbonimidoyl]-phenylazanide);tetrakis(platinum(2+)) |
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| PubChem CID | 139129527 |
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| Molecular Formula | C144H168N32Pt4 |
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| Molecular Weight | 3127.46 g/mol |
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| Exact Mass | 3125.27 |
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| IUPAC Name | octakis([(Z)-N-(N,N-diethylcarbamimidoyl)-C-phenylcarbonimidoyl]-phenylazanide);tetrakis(platinum(2+)) |
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| SMILES | [H]/N=C(/N=C(\[N-]c1ccccc1)c1ccccc1)N(CC)CC.[H]/N=C(/N=C(\[N-]c1ccccc1)c1ccccc1)N(CC)CC.[H]/N=C(/N=C(\[N-]c1ccccc1)c1ccccc1)N(CC)CC.[H]/N=C(/N=C(\[N-]c1ccccc1)c1ccccc1)N(CC)CC.[H]/N=C(/N=C(\[N-]c1ccccc1)c1ccccc1)N(CC)CC.[H]/N=C(/N=C(\[N-]c1ccccc1)c1ccccc1)N(CC)CC.[H]/N=C(/N=C(\[N-]c1ccccc1)c1ccccc1)N(CC)CC.[H]/N=C(/N=C(\[N-]c1ccccc1)c1ccccc1)N(CC)CC.[Pt+2].[Pt+2].[Pt+2].[Pt+2] |
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| InChI | InChI=1S/8C18H21N4.4Pt/c8*1-3-22(4-2)18(19)21-17(15-11-7-5-8-12-15)20-16-13-9-6-10-14-16;;;;/h8*5-14H,3-4H2,1-2H3,(H-,19,20,21);;;;/q8*-1;4*+2 |
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| InChIKey | IAJMAAOMQUBATH-UHFFFAOYSA-N |
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| XLogP | 35.31 |
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| TPSA | 428.40 Ų |
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| H-Bond Donors | 8 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 32 |
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| Heavy Atoms | 180 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 3127.46 |
| LogP ≤ 5 | 35.31 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of octakis([(Z)-N-(N,N-diethylcarbamimidoyl)-C-phenylcarbonimidoyl]-phenylazanide);tetrakis(platinum(2+))?
The IUPAC name of octakis([(Z)-N-(N,N-diethylcarbamimidoyl)-C-phenylcarbonimidoyl]-phenylazanide);tetrakis(platinum(2+)) (CID 139129527) is octakis([(Z)-N-(N,N-diethylcarbamimidoyl)-C-phenylcarbonimidoyl]-phenylazanide);tetrakis(platinum(2+)).
What is the SMILES notation for octakis([(Z)-N-(N,N-diethylcarbamimidoyl)-C-phenylcarbonimidoyl]-phenylazanide);tetrakis(platinum(2+))?
The canonical SMILES for octakis([(Z)-N-(N,N-diethylcarbamimidoyl)-C-phenylcarbonimidoyl]-phenylazanide);tetrakis(platinum(2+)) is [H]/N=C(/N=C(\[N-]c1ccccc1)c1ccccc1)N(CC)CC.[H]/N=C(/N=C(\[N-]c1ccccc1)c1ccccc1)N(CC)CC.[H]/N=C(/N=C(\[N-]c1ccccc1)c1ccccc1)N(CC)CC.[H]/N=C(/N=C(\[N-]c1ccccc1)c1ccccc1)N(CC)CC.[H]/N=C(/N=C(\[N-]c1ccccc1)c1ccccc1)N(CC)CC.[H]/N=C(/N=C(\[N-]c1ccccc1)c1ccccc1)N(CC)CC.[H]/N=C(/N=C(\[N-]c1ccccc1)c1ccccc1)N(CC)CC.[H]/N=C(/N=C(\[N-]c1ccccc1)c1ccccc1)N(CC)CC.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of octakis([(Z)-N-(N,N-diethylcarbamimidoyl)-C-phenylcarbonimidoyl]-phenylazanide);tetrakis(platinum(2+))?
The InChIKey is IAJMAAOMQUBATH-UHFFFAOYSA-N. The full InChI is InChI=1S/8C18H21N4.4Pt/c8*1-3-22(4-2)18(19)21-17(15-11-7-5-8-12-15)20-16-13-9-6-10-14-16;;;;/h8*5-14H,3-4H2,1-2H3,(H-,19,20,21);;;;/q8*-1;4*+2.
What are the key properties of octakis([(Z)-N-(N,N-diethylcarbamimidoyl)-C-phenylcarbonimidoyl]-phenylazanide);tetrakis(platinum(2+))?
octakis([(Z)-N-(N,N-diethylcarbamimidoyl)-C-phenylcarbonimidoyl]-phenylazanide);tetrakis(platinum(2+)) has a molecular weight of 3127.46 g/mol, XLogP of 35.31, 32 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for octakis([(Z)-N-(N,N-diethylcarbamimidoyl)-C-phenylcarbonimidoyl]-phenylazanide);tetrakis(platinum(2+)) is sourced from PubChem (CID 139129527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).