About pentakis(3-diphenylphosphaniumylpropyl(diphenyl)phosphanium);methane;platinum;pentakis(4-pyridin-4-ylpyridine);bis(trifluoromethanesulfonic acid)
pentakis(3-diphenylphosphaniumylpropyl(diphenyl)phosphanium);methane;platinum;pentakis(4-pyridin-4-ylpyridine);bis(trifluoromethanesulfonic acid) (PubChem CID 158772088) has the molecular formula C188H186F6N10O6P10Pt5S2+10
and a molecular weight of 4144.87 g/mol. Its IUPAC name is pentakis(3-diphenylphosphaniumylpropyl(diphenyl)phosphanium);methane;platinum;pentakis(4-pyridin-4-ylpyridine);bis(trifluoromethanesulfonic acid).
Molecular Properties
| Compound Name | pentakis(3-diphenylphosphaniumylpropyl(diphenyl)phosphanium);methane;platinum;pentakis(4-pyridin-4-ylpyridine);bis(trifluoromethanesulfonic acid) |
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| PubChem CID | 158772088 |
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| Molecular Formula | C188H186F6N10O6P10Pt5S2+10 |
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| Molecular Weight | 4144.87 g/mol |
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| Exact Mass | 4141.95 |
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| IUPAC Name | pentakis(3-diphenylphosphaniumylpropyl(diphenyl)phosphanium);methane;platinum;pentakis(4-pyridin-4-ylpyridine);bis(trifluoromethanesulfonic acid) |
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| SMILES | C.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Pt].[Pt].[Pt].[Pt].[Pt].c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1ccc([PH+](CCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
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| InChI | InChI=1S/5C27H26P2.5C10H8N2.2CHF3O3S.CH4.5Pt/c5*1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;5*1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*2-1(3,4)8(5,6)7;;;;;;/h5*1-12,14-21H,13,22-23H2;5*1-8H;2*(H,5,6,7);1H4;;;;;/p+10 |
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| InChIKey | NQVFCAGJBURXJG-UHFFFAOYSA-X |
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| XLogP | 37.66 |
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| TPSA | 237.64 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 14 |
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| Rotatable Bonds | 45 |
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| Heavy Atoms | 227 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 4144.87 |
| LogP ≤ 5 | 37.66 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 14 |
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'} |
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Frequently Asked Questions
What is the IUPAC name of pentakis(3-diphenylphosphaniumylpropyl(diphenyl)phosphanium);methane;platinum;pentakis(4-pyridin-4-ylpyridine);bis(trifluoromethanesulfonic acid)?
The IUPAC name of pentakis(3-diphenylphosphaniumylpropyl(diphenyl)phosphanium);methane;platinum;pentakis(4-pyridin-4-ylpyridine);bis(trifluoromethanesulfonic acid) (CID 158772088) is pentakis(3-diphenylphosphaniumylpropyl(diphenyl)phosphanium);methane;platinum;pentakis(4-pyridin-4-ylpyridine);bis(trifluoromethanesulfonic acid).
What is the SMILES notation for pentakis(3-diphenylphosphaniumylpropyl(diphenyl)phosphanium);methane;platinum;pentakis(4-pyridin-4-ylpyridine);bis(trifluoromethanesulfonic acid)?
The canonical SMILES for pentakis(3-diphenylphosphaniumylpropyl(diphenyl)phosphanium);methane;platinum;pentakis(4-pyridin-4-ylpyridine);bis(trifluoromethanesulfonic acid) is C.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Pt].[Pt].[Pt].[Pt].[Pt].c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1ccc([PH+](CCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of pentakis(3-diphenylphosphaniumylpropyl(diphenyl)phosphanium);methane;platinum;pentakis(4-pyridin-4-ylpyridine);bis(trifluoromethanesulfonic acid)?
The InChIKey is NQVFCAGJBURXJG-UHFFFAOYSA-X. The full InChI is InChI=1S/5C27H26P2.5C10H8N2.2CHF3O3S.CH4.5Pt/c5*1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;5*1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*2-1(3,4)8(5,6)7;;;;;;/h5*1-12,14-21H,13,22-23H2;5*1-8H;2*(H,5,6,7);1H4;;;;;/p+10.
What are the key properties of pentakis(3-diphenylphosphaniumylpropyl(diphenyl)phosphanium);methane;platinum;pentakis(4-pyridin-4-ylpyridine);bis(trifluoromethanesulfonic acid)?
pentakis(3-diphenylphosphaniumylpropyl(diphenyl)phosphanium);methane;platinum;pentakis(4-pyridin-4-ylpyridine);bis(trifluoromethanesulfonic acid) has a molecular weight of 4144.87 g/mol, XLogP of 37.66, 45 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(3-diphenylphosphaniumylpropyl(diphenyl)phosphanium);methane;platinum;pentakis(4-pyridin-4-ylpyridine);bis(trifluoromethanesulfonic acid) is sourced from PubChem (CID 158772088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).