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

C24H20F6N4Pt — CID 59661470

IUPACbis(2-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+)
SMILESCc1ccc[c-]c1-c1nccn1CC(F)(F)F.Cc1ccc[c-]c1-c1nccn1CC(F)(F)F.[Pt+2]
InChIInChI=1S/2C12H10F3N2.Pt/c2*1-9-4-2-3-5-10(9)11-16-6-7-17(11)8-12(13,14)15;/h2*2-4,6-7H,8H2,1H3;/q2*-1;+2
InChIKeyCAIGHJFISVGHSK-UHFFFAOYSA-N
MW673.52 g/mol
LogP6.44
Rot. Bonds4

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

bis(2-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+) (PubChem CID 59661470) has the molecular formula C24H20F6N4Pt and a molecular weight of 673.52 g/mol. Its IUPAC name is bis(2-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+).

Molecular Properties

Compound Namebis(2-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+)
PubChem CID59661470
Molecular FormulaC24H20F6N4Pt
Molecular Weight673.52 g/mol
Exact Mass673.12
IUPAC Namebis(2-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+)
SMILESCc1ccc[c-]c1-c1nccn1CC(F)(F)F.Cc1ccc[c-]c1-c1nccn1CC(F)(F)F.[Pt+2]
InChIInChI=1S/2C12H10F3N2.Pt/c2*1-9-4-2-3-5-10(9)11-16-6-7-17(11)8-12(13,14)15;/h2*2-4,6-7H,8H2,1H3;/q2*-1;+2
InChIKeyCAIGHJFISVGHSK-UHFFFAOYSA-N
XLogP6.44
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.52
LogP ≤ 56.44
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;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole
CID 58202901
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]-1-methylimidazole;iridium
CID 58769473
2-[2,4-Difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-1-methylimidazole
CID 102401857
iridium;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide;1-methyl-2-phenylimidazole
CID 57596137
Iridium;1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole
CID 58163056
1-Methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;platinum(2+)
CID 58163118
2-(2,4-Dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;platinum
CID 58401313
1-Methyl-2-(2-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-(2-methylbenzene-6-id-1-yl)imidazol-1-ium-3-ide;platinum
CID 58401371
1,4-dimethyl-2-phenyl-2H-imidazol-1-ium;1-methyl-2-phenylimidazole;platinum(2+)
CID 58401579
bis(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);platinum(2+)
CID 58401688
bis(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide);platinum(2+)
CID 58401730
1-Methyl-2-phenylimidazole;1-methyl-2-phenylimidazol-1-ium-3-ide;platinum
CID 58401739

Frequently Asked Questions

What is the IUPAC name of bis(2-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+)?
The IUPAC name of bis(2-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+) (CID 59661470) is bis(2-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+).
What is the SMILES notation for bis(2-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+)?
The canonical SMILES for bis(2-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+) is Cc1ccc[c-]c1-c1nccn1CC(F)(F)F.Cc1ccc[c-]c1-c1nccn1CC(F)(F)F.[Pt+2].
What is the InChIKey of bis(2-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+)?
The InChIKey is CAIGHJFISVGHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H10F3N2.Pt/c2*1-9-4-2-3-5-10(9)11-16-6-7-17(11)8-12(13,14)15;/h2*2-4,6-7H,8H2,1H3;/q2*-1;+2.
What are the key properties of bis(2-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+)?
bis(2-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+) has a molecular weight of 673.52 g/mol, XLogP of 6.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+) is sourced from PubChem (CID 59661470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).