tetrakis(dipyridin-2-ylmethanone);oxolane;tetrakis(platinum(2+));tetrakis(trifluoromethanesulfonate);tetrahydroxide

C52H44F12N8O21Pt4S4 — CID 139111084

IUPACtetrakis(dipyridin-2-ylmethanone);oxolane;tetrakis(platinum(2+));tetrakis(trifluoromethanesulfonate);tetrahydroxide
SMILESC1CCOC1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.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.[OH-].[OH-].[OH-].[OH-].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/4C11H8N2O.C4H8O.4CHF3O3S.4H2O.4Pt/c4*14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10;1-2-4-5-3-1;4*2-1(3,4)8(5,6)7;;;;;;;;/h4*1-8H;1-4H2;4*(H,5,6,7);4*1H2;;;;/q;;;;;;;;;;;;;4*+2/p-8
InChIKeySUSYAGIGTMMYFJ-UHFFFAOYSA-F
MW2253.51 g/mol
LogP7.12
Rot. Bonds8

About tetrakis(dipyridin-2-ylmethanone);oxolane;tetrakis(platinum(2+));tetrakis(trifluoromethanesulfonate);tetrahydroxide

tetrakis(dipyridin-2-ylmethanone);oxolane;tetrakis(platinum(2+));tetrakis(trifluoromethanesulfonate);tetrahydroxide (PubChem CID 139111084) has the molecular formula C52H44F12N8O21Pt4S4 and a molecular weight of 2253.51 g/mol. Its IUPAC name is tetrakis(dipyridin-2-ylmethanone);oxolane;tetrakis(platinum(2+));tetrakis(trifluoromethanesulfonate);tetrahydroxide.

Molecular Properties

Compound Nametetrakis(dipyridin-2-ylmethanone);oxolane;tetrakis(platinum(2+));tetrakis(trifluoromethanesulfonate);tetrahydroxide
PubChem CID139111084
Molecular FormulaC52H44F12N8O21Pt4S4
Molecular Weight2253.51 g/mol
Exact Mass2251.99
IUPAC Nametetrakis(dipyridin-2-ylmethanone);oxolane;tetrakis(platinum(2+));tetrakis(trifluoromethanesulfonate);tetrahydroxide
SMILESC1CCOC1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.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.[OH-].[OH-].[OH-].[OH-].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/4C11H8N2O.C4H8O.4CHF3O3S.4H2O.4Pt/c4*14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10;1-2-4-5-3-1;4*2-1(3,4)8(5,6)7;;;;;;;;/h4*1-8H;1-4H2;4*(H,5,6,7);4*1H2;;;;/q;;;;;;;;;;;;;4*+2/p-8
InChIKeySUSYAGIGTMMYFJ-UHFFFAOYSA-F
XLogP7.12
TPSA529.43 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds8
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002253.51
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'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 tetrakis(dipyridin-2-ylmethanone);oxolane;tetrakis(platinum(2+));tetrakis(trifluoromethanesulfonate);tetrahydroxide?
The IUPAC name of tetrakis(dipyridin-2-ylmethanone);oxolane;tetrakis(platinum(2+));tetrakis(trifluoromethanesulfonate);tetrahydroxide (CID 139111084) is tetrakis(dipyridin-2-ylmethanone);oxolane;tetrakis(platinum(2+));tetrakis(trifluoromethanesulfonate);tetrahydroxide.
What is the SMILES notation for tetrakis(dipyridin-2-ylmethanone);oxolane;tetrakis(platinum(2+));tetrakis(trifluoromethanesulfonate);tetrahydroxide?
The canonical SMILES for tetrakis(dipyridin-2-ylmethanone);oxolane;tetrakis(platinum(2+));tetrakis(trifluoromethanesulfonate);tetrahydroxide is C1CCOC1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.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.[OH-].[OH-].[OH-].[OH-].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of tetrakis(dipyridin-2-ylmethanone);oxolane;tetrakis(platinum(2+));tetrakis(trifluoromethanesulfonate);tetrahydroxide?
The InChIKey is SUSYAGIGTMMYFJ-UHFFFAOYSA-F. The full InChI is InChI=1S/4C11H8N2O.C4H8O.4CHF3O3S.4H2O.4Pt/c4*14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10;1-2-4-5-3-1;4*2-1(3,4)8(5,6)7;;;;;;;;/h4*1-8H;1-4H2;4*(H,5,6,7);4*1H2;;;;/q;;;;;;;;;;;;;4*+2/p-8.
What are the key properties of tetrakis(dipyridin-2-ylmethanone);oxolane;tetrakis(platinum(2+));tetrakis(trifluoromethanesulfonate);tetrahydroxide?
tetrakis(dipyridin-2-ylmethanone);oxolane;tetrakis(platinum(2+));tetrakis(trifluoromethanesulfonate);tetrahydroxide has a molecular weight of 2253.51 g/mol, XLogP of 7.12, 8 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(dipyridin-2-ylmethanone);oxolane;tetrakis(platinum(2+));tetrakis(trifluoromethanesulfonate);tetrahydroxide is sourced from PubChem (CID 139111084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).