bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+)

C26H24F6N4Pt — CID 59661443

IUPACbis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+)
SMILESCc1ccc[c-]c1-c1ncn(CC(F)(F)F)c1C.Cc1ccc[c-]c1-c1ncn(CC(F)(F)F)c1C.[Pt+2]
InChIInChI=1S/2C13H12F3N2.Pt/c2*1-9-5-3-4-6-11(9)12-10(2)18(8-17-12)7-13(14,15)16;/h2*3-5,8H,7H2,1-2H3;/q2*-1;+2
InChIKeyPWGPPTDNDLCLOI-UHFFFAOYSA-N
MW701.57 g/mol
LogP7.06
Rot. Bonds4

About bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+)

bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+) (PubChem CID 59661443) has the molecular formula C26H24F6N4Pt and a molecular weight of 701.57 g/mol. Its IUPAC name is bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+).

Molecular Properties

Compound Namebis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+)
PubChem CID59661443
Molecular FormulaC26H24F6N4Pt
Molecular Weight701.57 g/mol
Exact Mass701.16
IUPAC Namebis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+)
SMILESCc1ccc[c-]c1-c1ncn(CC(F)(F)F)c1C.Cc1ccc[c-]c1-c1ncn(CC(F)(F)F)c1C.[Pt+2]
InChIInChI=1S/2C13H12F3N2.Pt/c2*1-9-5-3-4-6-11(9)12-10(2)18(8-17-12)7-13(14,15)16;/h2*3-5,8H,7H2,1-2H3;/q2*-1;+2
InChIKeyPWGPPTDNDLCLOI-UHFFFAOYSA-N
XLogP7.06
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.57
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Iridium(3+);bis(4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);1-methyl-4-(2-methylbenzene-6-id-1-yl)imidazole
CID 58401384
7,8-dimethyl-3-(trifluoromethyl)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium
CID 59515031
7,8-dimethyl-2-(trifluoromethyl)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium
CID 59515044
4-cyclohexa-1,3-dien-1-yl-5-[(2Z,4E)-7-fluoro-6-methylideneocta-2,4-dien-4-yl]-1-prop-2-enylimidazole
CID 156432675
Bis(1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole);platinum(2+)
CID 58401570
Tris(1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole);iridium(3+)
CID 58401703
bis(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);platinum(2+)
CID 58401802
bis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);platinum(2+)
CID 58401857
Bis(1,2-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole);platinum(2+)
CID 58401867
Bis(1,5-dimethyl-4-phenylimidazole);platinum(2+)
CID 58401905
Bis(4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+)
CID 59661369
1,5-Dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;platinum(2+)
CID 59661517

Frequently Asked Questions

What is the IUPAC name of bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+)?
The IUPAC name of bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+) (CID 59661443) is bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+).
What is the SMILES notation for bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+)?
The canonical SMILES for bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+) is Cc1ccc[c-]c1-c1ncn(CC(F)(F)F)c1C.Cc1ccc[c-]c1-c1ncn(CC(F)(F)F)c1C.[Pt+2].
What is the InChIKey of bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+)?
The InChIKey is PWGPPTDNDLCLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H12F3N2.Pt/c2*1-9-5-3-4-6-11(9)12-10(2)18(8-17-12)7-13(14,15)16;/h2*3-5,8H,7H2,1-2H3;/q2*-1;+2.
What are the key properties of bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+)?
bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+) has a molecular weight of 701.57 g/mol, XLogP of 7.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+) is sourced from PubChem (CID 59661443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).