tetrakis(platinum(2+));tetrakis(4-[2-[4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine);octakis(triethylphosphane);octakis(trifluoromethanesulfonate)

C136H168F24N8O24P8Pt4S8 — CID 139258329

IUPACtetrakis(platinum(2+));tetrakis(4-[2-[4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine);octakis(triethylphosphane);octakis(trifluoromethanesulfonate)
SMILESC(#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]
InChIInChI=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
InChIKeyZYZUISPVUAUUJS-UHFFFAOYSA-F
MW4039.46 g/mol
LogP33.73
Rot. Bonds24

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 Nametetrakis(platinum(2+));tetrakis(4-[2-[4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine);octakis(triethylphosphane);octakis(trifluoromethanesulfonate)
PubChem CID139258329
Molecular FormulaC136H168F24N8O24P8Pt4S8
Molecular Weight4039.46 g/mol
Exact Mass4036.60
IUPAC Nametetrakis(platinum(2+));tetrakis(4-[2-[4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine);octakis(triethylphosphane);octakis(trifluoromethanesulfonate)
SMILESC(#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]
InChIInChI=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
InChIKeyZYZUISPVUAUUJS-UHFFFAOYSA-F
XLogP33.73
TPSA560.72 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds24
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004039.46
LogP ≤ 533.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

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'}

Analyze tetrakis(platinum(2+));tetrakis(4-[2-[4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine);octakis(triethylphosphane);octakis(trifluoromethanesulfonate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tetrakis(4-(methylsulfanylmethyl)-2,6-bis(2-pyridin-3-ylethynyl)pyridine);bis(palladium(2+));tetrakis(trifluoromethanesulfonate)
CID 139051446
Bis(butanedioic acid);platinum;bis(4-[2-[4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine);octakis(triethylphosphane);tetrakis(trifluoromethanesulfonate)
CID 139258333
Bis(4-[2-[3,5-bis(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine);tris(hexanedioic acid);platinum;dodecakis(triethylphosphane);hexakis(trifluoromethanesulfonate)
CID 139258334
Bis(octanedioic acid);platinum;bis(4-[2-[4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine);octakis(triethylphosphane);tetrakis(trifluoromethanesulfonate)
CID 139258335
Platinum;bis(propanedioic acid);bis(4-[2-[4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine);octakis(triethylphosphane);tetrakis(trifluoromethanesulfonate)
CID 139258336
Bis(heptadecanedioic acid);platinum;bis(4-[2-[4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine);octakis(triethylphosphane);tetrakis(trifluoromethanesulfonate)
CID 139258339
Bis(3,5-bis(2-pyridin-4-ylethynyl)pyridine);ethoxyethane;bis(platinum(2+));tetrakis(trifluoromethanesulfonate);tetrakis(trimethylphosphanium)
CID 168333132
disilver;tetrakis(4-[(E)-2-phenylethenyl]pyridine);bis(trifluoromethanesulfonate)
CID 168350257
Dicopper;octakis(4-phenylpyridine);tetrakis(trifluoromethanesulfonate)
CID 168351779
Pentakis(3-diphenylphosphaniumylpropyl(diphenyl)phosphanium);methane;platinum;pentakis(4-pyridin-4-ylpyridine);bis(trifluoromethanesulfonic acid)
CID 158772088
Pentakis(3-diphenylphosphaniumylpropyl(diphenyl)phosphanium);platinum;pentakis(4-pyridin-4-ylpyridine);bis(trifluoromethanesulfonic acid)
CID 158797361
Pentakis(3-diphenylphosphaniumylpropyl(diphenyl)phosphanium);methane;platinum;pentakis(4-pyridin-4-ylpyridine);bis(trifluoromethanesulfonic acid)
CID 160702163

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).