About tetrakis(platinum(2+));tetrakis(4-[2-[4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine);octakis(triethylphosphane);octakis(trifluoromethanesulfonate)
tetrakis(platinum(2+));tetrakis(4-[2-[4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine);octakis(triethylphosphane);octakis(trifluoromethanesulfonate) (PubChem CID 139258329) has the molecular formula C136H168F24N8O24P8Pt4S8
and a molecular weight of 4039.46 g/mol. Its IUPAC name is tetrakis(platinum(2+));tetrakis(4-[2-[4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine);octakis(triethylphosphane);octakis(trifluoromethanesulfonate).
Molecular Properties
| Compound Name | tetrakis(platinum(2+));tetrakis(4-[2-[4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine);octakis(triethylphosphane);octakis(trifluoromethanesulfonate) |
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| PubChem CID | 139258329 |
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| Molecular Formula | C136H168F24N8O24P8Pt4S8 |
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| Molecular Weight | 4039.46 g/mol |
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| Exact Mass | 4036.60 |
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| IUPAC Name | tetrakis(platinum(2+));tetrakis(4-[2-[4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine);octakis(triethylphosphane);octakis(trifluoromethanesulfonate) |
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| SMILES | C(#Cc1ccc(C#Cc2ccncc2)cc1)c1ccncc1.C(#Cc1ccc(C#Cc2ccncc2)cc1)c1ccncc1.C(#Cc1ccc(C#Cc2ccncc2)cc1)c1ccncc1.C(#Cc1ccc(C#Cc2ccncc2)cc1)c1ccncc1.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Pt+2].[Pt+2].[Pt+2].[Pt+2] |
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| InChI | InChI=1S/4C20H12N2.8C6H15P.8CHF3O3S.4Pt/c4*1-2-18(6-8-20-11-15-22-16-12-20)4-3-17(1)5-7-19-9-13-21-14-10-19;8*1-4-7(5-2)6-3;8*2-1(3,4)8(5,6)7;;;;/h4*1-4,9-16H;8*4-6H2,1-3H3;8*(H,5,6,7);;;;/q;;;;;;;;;;;;;;;;;;;;4*+2/p-8 |
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| InChIKey | ZYZUISPVUAUUJS-UHFFFAOYSA-F |
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| XLogP | 33.73 |
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| TPSA | 560.72 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 32 |
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| Rotatable Bonds | 24 |
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| Heavy Atoms | 212 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 4039.46 |
| LogP ≤ 5 | 33.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 32 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of tetrakis(platinum(2+));tetrakis(4-[2-[4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine);octakis(triethylphosphane);octakis(trifluoromethanesulfonate)?
The IUPAC name of tetrakis(platinum(2+));tetrakis(4-[2-[4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine);octakis(triethylphosphane);octakis(trifluoromethanesulfonate) (CID 139258329) is tetrakis(platinum(2+));tetrakis(4-[2-[4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine);octakis(triethylphosphane);octakis(trifluoromethanesulfonate).
What is the SMILES notation for tetrakis(platinum(2+));tetrakis(4-[2-[4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine);octakis(triethylphosphane);octakis(trifluoromethanesulfonate)?
The canonical SMILES for tetrakis(platinum(2+));tetrakis(4-[2-[4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine);octakis(triethylphosphane);octakis(trifluoromethanesulfonate) is C(#Cc1ccc(C#Cc2ccncc2)cc1)c1ccncc1.C(#Cc1ccc(C#Cc2ccncc2)cc1)c1ccncc1.C(#Cc1ccc(C#Cc2ccncc2)cc1)c1ccncc1.C(#Cc1ccc(C#Cc2ccncc2)cc1)c1ccncc1.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of tetrakis(platinum(2+));tetrakis(4-[2-[4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine);octakis(triethylphosphane);octakis(trifluoromethanesulfonate)?
The InChIKey is ZYZUISPVUAUUJS-UHFFFAOYSA-F. The full InChI is InChI=1S/4C20H12N2.8C6H15P.8CHF3O3S.4Pt/c4*1-2-18(6-8-20-11-15-22-16-12-20)4-3-17(1)5-7-19-9-13-21-14-10-19;8*1-4-7(5-2)6-3;8*2-1(3,4)8(5,6)7;;;;/h4*1-4,9-16H;8*4-6H2,1-3H3;8*(H,5,6,7);;;;/q;;;;;;;;;;;;;;;;;;;;4*+2/p-8.
What are the key properties of tetrakis(platinum(2+));tetrakis(4-[2-[4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine);octakis(triethylphosphane);octakis(trifluoromethanesulfonate)?
tetrakis(platinum(2+));tetrakis(4-[2-[4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine);octakis(triethylphosphane);octakis(trifluoromethanesulfonate) has a molecular weight of 4039.46 g/mol, XLogP of 33.73, 24 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(platinum(2+));tetrakis(4-[2-[4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine);octakis(triethylphosphane);octakis(trifluoromethanesulfonate) is sourced from PubChem (CID 139258329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).