bis(2,4-dimethyl-5-phenylimidazol-1-ide);3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum

C96H73F3N13Pt3-9 — CID 160682651

IUPACbis(2,4-dimethyl-5-phenylimidazol-1-ide);3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum
SMILESCc1nc(C)c(-c2[c-]cccc2)[n-]1.Cc1nc(C)c(-c2[c-]cccc2)[n-]1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.FC(F)(F)c1n[n-]c(-c2[c-]cccc2)n1.[Pt].[Pt].[Pt].[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/C23H19N2.2C21H15N2.2C11H10N2.C9H4F3N3.3Pt/c1-17-23(18(2)25(24-17)22-11-7-4-8-12-22)21-15-13-20(14-16-21)19-9-5-3-6-10-19;2*1-3-7-17(8-4-1)18-11-13-19(14-12-18)20-15-22-23(16-20)21-9-5-2-6-10-21;2*1-8-11(13-9(2)12-8)10-6-4-3-5-7-10;10-9(11,12)8-13-7(14-15-8)6-4-2-1-3-5-6;;;/h3-11,13-16H,1-2H3;2*1-9,11-16H;2*3-6H,1-2H3;1-4H;;;/q3*-1;3*-2;;;
InChIKeyZRKRKMAAEOIIFQ-UHFFFAOYSA-N
MW2050.96 g/mol
LogP21.79
Rot. Bonds12

About bis(2,4-dimethyl-5-phenylimidazol-1-ide);3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum

bis(2,4-dimethyl-5-phenylimidazol-1-ide);3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum (PubChem CID 160682651) has the molecular formula C96H73F3N13Pt3-9 and a molecular weight of 2050.96 g/mol. Its IUPAC name is bis(2,4-dimethyl-5-phenylimidazol-1-ide);3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum.

Molecular Properties

Compound Namebis(2,4-dimethyl-5-phenylimidazol-1-ide);3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum
PubChem CID160682651
Molecular FormulaC96H73F3N13Pt3-9
Molecular Weight2050.96 g/mol
Exact Mass2049.51
IUPAC Namebis(2,4-dimethyl-5-phenylimidazol-1-ide);3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum
SMILESCc1nc(C)c(-c2[c-]cccc2)[n-]1.Cc1nc(C)c(-c2[c-]cccc2)[n-]1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.FC(F)(F)c1n[n-]c(-c2[c-]cccc2)n1.[Pt].[Pt].[Pt].[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/C23H19N2.2C21H15N2.2C11H10N2.C9H4F3N3.3Pt/c1-17-23(18(2)25(24-17)22-11-7-4-8-12-22)21-15-13-20(14-16-21)19-9-5-3-6-10-19;2*1-3-7-17(8-4-1)18-11-13-19(14-12-18)20-15-22-23(16-20)21-9-5-2-6-10-21;2*1-8-11(13-9(2)12-8)10-6-4-3-5-7-10;10-9(11,12)8-13-7(14-15-8)6-4-2-1-3-5-6;;;/h3-11,13-16H,1-2H3;2*1-9,11-16H;2*3-6H,1-2H3;1-4H;;;/q3*-1;3*-2;;;
InChIKeyZRKRKMAAEOIIFQ-UHFFFAOYSA-N
XLogP21.79
TPSA147.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms115
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002050.96
LogP ≤ 521.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze bis(2,4-dimethyl-5-phenylimidazol-1-ide);3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2,4-dimethyl-5-phenylimidazol-1-ide);3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum?
The IUPAC name of bis(2,4-dimethyl-5-phenylimidazol-1-ide);3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum (CID 160682651) is bis(2,4-dimethyl-5-phenylimidazol-1-ide);3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum.
What is the SMILES notation for bis(2,4-dimethyl-5-phenylimidazol-1-ide);3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum?
The canonical SMILES for bis(2,4-dimethyl-5-phenylimidazol-1-ide);3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum is Cc1nc(C)c(-c2[c-]cccc2)[n-]1.Cc1nc(C)c(-c2[c-]cccc2)[n-]1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.FC(F)(F)c1n[n-]c(-c2[c-]cccc2)n1.[Pt].[Pt].[Pt].[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.
What is the InChIKey of bis(2,4-dimethyl-5-phenylimidazol-1-ide);3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum?
The InChIKey is ZRKRKMAAEOIIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N2.2C21H15N2.2C11H10N2.C9H4F3N3.3Pt/c1-17-23(18(2)25(24-17)22-11-7-4-8-12-22)21-15-13-20(14-16-21)19-9-5-3-6-10-19;2*1-3-7-17(8-4-1)18-11-13-19(14-12-18)20-15-22-23(16-20)21-9-5-2-6-10-21;2*1-8-11(13-9(2)12-8)10-6-4-3-5-7-10;10-9(11,12)8-13-7(14-15-8)6-4-2-1-3-5-6;;;/h3-11,13-16H,1-2H3;2*1-9,11-16H;2*3-6H,1-2H3;1-4H;;;/q3*-1;3*-2;;;.
What are the key properties of bis(2,4-dimethyl-5-phenylimidazol-1-ide);3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum?
bis(2,4-dimethyl-5-phenylimidazol-1-ide);3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum has a molecular weight of 2050.96 g/mol, XLogP of 21.79, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dimethyl-5-phenylimidazol-1-ide);3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum is sourced from PubChem (CID 160682651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).