pentakis(3-diphenylphosphaniumylpropyl(diphenyl)phosphanium);methane;platinum;pentakis(4-pyridin-4-ylpyridine);bis(trifluoromethanesulfonic acid)

C189H190F6N10O6P10Pt5S2+10 — CID 160702163

IUPACpentakis(3-diphenylphosphaniumylpropyl(diphenyl)phosphanium);methane;platinum;pentakis(4-pyridin-4-ylpyridine);bis(trifluoromethanesulfonic acid)
SMILESC.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
InChIInChI=1S/5C27H26P2.5C10H8N2.2CHF3O3S.2CH4.5Pt/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);2*1H4;;;;;/p+10
InChIKeyVNDDRHNQSCVXGO-UHFFFAOYSA-X
MW4160.91 g/mol
LogP38.30
Rot. Bonds45

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 160702163) has the molecular formula C189H190F6N10O6P10Pt5S2+10 and a molecular weight of 4160.91 g/mol. Its IUPAC name is pentakis(3-diphenylphosphaniumylpropyl(diphenyl)phosphanium);methane;platinum;pentakis(4-pyridin-4-ylpyridine);bis(trifluoromethanesulfonic acid).

Molecular Properties

Compound Namepentakis(3-diphenylphosphaniumylpropyl(diphenyl)phosphanium);methane;platinum;pentakis(4-pyridin-4-ylpyridine);bis(trifluoromethanesulfonic acid)
PubChem CID160702163
Molecular FormulaC189H190F6N10O6P10Pt5S2+10
Molecular Weight4160.91 g/mol
Exact Mass4157.98
IUPAC Namepentakis(3-diphenylphosphaniumylpropyl(diphenyl)phosphanium);methane;platinum;pentakis(4-pyridin-4-ylpyridine);bis(trifluoromethanesulfonic acid)
SMILESC.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
InChIInChI=1S/5C27H26P2.5C10H8N2.2CHF3O3S.2CH4.5Pt/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);2*1H4;;;;;/p+10
InChIKeyVNDDRHNQSCVXGO-UHFFFAOYSA-X
XLogP38.30
TPSA237.64 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds45
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004160.91
LogP ≤ 538.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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 160702163) 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.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 VNDDRHNQSCVXGO-UHFFFAOYSA-X. The full InChI is InChI=1S/5C27H26P2.5C10H8N2.2CHF3O3S.2CH4.5Pt/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);2*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 4160.91 g/mol, XLogP of 38.30, 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 160702163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).