tetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(platinum(2+))

C44H28F12N12Pt2 — CID 157411035

IUPACtetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(platinum(2+))
SMILESCc1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.Cc1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.Cc1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.Cc1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.[Pt+2].[Pt+2]
InChIInChI=1S/4C11H7F3N3.2Pt/c4*1-7-2-3-15-9(4-7)8-5-16-10(17-6-8)11(12,13)14;;/h4*2-5H,1H3;;/q4*-1;2*+2
InChIKeyFXMJSJUIQXLEAQ-UHFFFAOYSA-N
MW1342.92 g/mol
LogP10.66
Rot. Bonds4

About tetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(platinum(2+))

tetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(platinum(2+)) (PubChem CID 157411035) has the molecular formula C44H28F12N12Pt2 and a molecular weight of 1342.92 g/mol. Its IUPAC name is tetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(platinum(2+)).

Molecular Properties

Compound Nametetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(platinum(2+))
PubChem CID157411035
Molecular FormulaC44H28F12N12Pt2
Molecular Weight1342.92 g/mol
Exact Mass1342.17
IUPAC Nametetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(platinum(2+))
SMILESCc1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.Cc1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.Cc1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.Cc1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.[Pt+2].[Pt+2]
InChIInChI=1S/4C11H7F3N3.2Pt/c4*1-7-2-3-15-9(4-7)8-5-16-10(17-6-8)11(12,13)14;;/h4*2-5H,1H3;;/q4*-1;2*+2
InChIKeyFXMJSJUIQXLEAQ-UHFFFAOYSA-N
XLogP10.66
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001342.92
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

(2-(4-methyl-5-phenyl-2-pyridinyl-kappaN)phenyl-kappaC)bis(2-(2-pyridinyl-kappaN)phenyl-kappaC) Iridium
CID 59546880
4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 170518286
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;2-pyridin-2-ylpyridine
CID 170518302
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CID 16683889
Ru(II)(bpy)2(Mebpy-cyclam-Zn(II))
CID 16683890
Ru(II)(bpy)2(Mebpy-cyclam-Cu(II))
CID 16683891
Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
CID 16683892
Ru(II)(bpy)2(Mebpy-cyclam-Co(III)-Cl2)
CID 16683893
meso-Tetra (4-pyridyl) porphine-Ni(II)
CID 166593494
4-Methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 5494444
[Ir(dF[CF3]ppy)2(dtbbpy)]PF6
CID 60160592
Benzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+))
CID 139132391

Frequently Asked Questions

What is the IUPAC name of tetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(platinum(2+))?
The IUPAC name of tetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(platinum(2+)) (CID 157411035) is tetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(platinum(2+)).
What is the SMILES notation for tetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(platinum(2+))?
The canonical SMILES for tetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(platinum(2+)) is Cc1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.Cc1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.Cc1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.Cc1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.[Pt+2].[Pt+2].
What is the InChIKey of tetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(platinum(2+))?
The InChIKey is FXMJSJUIQXLEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H7F3N3.2Pt/c4*1-7-2-3-15-9(4-7)8-5-16-10(17-6-8)11(12,13)14;;/h4*2-5H,1H3;;/q4*-1;2*+2.
What are the key properties of tetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(platinum(2+))?
tetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(platinum(2+)) has a molecular weight of 1342.92 g/mol, XLogP of 10.66, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(platinum(2+)) is sourced from PubChem (CID 157411035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).