bis(3-(1-methylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene);bis(3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide);3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));3-(1-propan-2-ylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene

C59H54F9N27Pt3 — CID 161076514

IUPACbis(3-(1-methylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene);bis(3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide);3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));3-(1-propan-2-ylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene
SMILESCC(C)n1ccnc1-c1nc(C(F)(F)F)n[n-]1.Cc1cc(-c2nccn2-c2ccccc2)[n-]n1.Cc1cc(-c2nccn2-c2ccccc2)[n-]n1.Cc1cc(-c2nccn2C(C)C)[n-]n1.Cn1ccnc1-c1nc(C(F)(F)F)n[n-]1.Cn1ccnc1-c1nc(C(F)(F)F)n[n-]1.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/2C13H11N4.C10H13N4.C9H9F3N5.2C7H5F3N5.3Pt/c2*1-10-9-12(16-15-10)13-14-7-8-17(13)11-5-3-2-4-6-11;1-7(2)14-5-4-11-10(14)9-6-8(3)12-13-9;1-5(2)17-4-3-13-7(17)6-14-8(16-15-6)9(10,11)12;2*1-15-3-2-11-5(15)4-12-6(14-13-4)7(8,9)10;;;/h2*2-9H,1H3;4-7H,1-3H3;3-5H,1-2H3;2*2-3H,1H3;;;/q6*-1;3*+2
InChIKeyUFISFRKDEOFZHC-UHFFFAOYSA-N
MW1897.49 g/mol
LogP9.79
Rot. Bonds10

About bis(3-(1-methylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene);bis(3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide);3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));3-(1-propan-2-ylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene

bis(3-(1-methylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene);bis(3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide);3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));3-(1-propan-2-ylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene (PubChem CID 161076514) has the molecular formula C59H54F9N27Pt3 and a molecular weight of 1897.49 g/mol. Its IUPAC name is bis(3-(1-methylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene);bis(3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide);3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));3-(1-propan-2-ylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene.

Molecular Properties

Compound Namebis(3-(1-methylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene);bis(3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide);3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));3-(1-propan-2-ylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene
PubChem CID161076514
Molecular FormulaC59H54F9N27Pt3
Molecular Weight1897.49 g/mol
Exact Mass1896.39
IUPAC Namebis(3-(1-methylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene);bis(3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide);3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));3-(1-propan-2-ylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene
SMILESCC(C)n1ccnc1-c1nc(C(F)(F)F)n[n-]1.Cc1cc(-c2nccn2-c2ccccc2)[n-]n1.Cc1cc(-c2nccn2-c2ccccc2)[n-]n1.Cc1cc(-c2nccn2C(C)C)[n-]n1.Cn1ccnc1-c1nc(C(F)(F)F)n[n-]1.Cn1ccnc1-c1nc(C(F)(F)F)n[n-]1.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/2C13H11N4.C10H13N4.C9H9F3N5.2C7H5F3N5.3Pt/c2*1-10-9-12(16-15-10)13-14-7-8-17(13)11-5-3-2-4-6-11;1-7(2)14-5-4-11-10(14)9-6-8(3)12-13-9;1-5(2)17-4-3-13-7(17)6-14-8(16-15-6)9(10,11)12;2*1-15-3-2-11-5(15)4-12-6(14-13-4)7(8,9)10;;;/h2*2-9H,1H3;4-7H,1-3H3;3-5H,1-2H3;2*2-3H,1H3;;;/q6*-1;3*+2
InChIKeyUFISFRKDEOFZHC-UHFFFAOYSA-N
XLogP9.79
TPSA307.53 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds10
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001897.49
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze bis(3-(1-methylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene);bis(3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide);3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));3-(1-propan-2-ylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene with MolForge

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Related Compounds

Ethyl acetate;bis(3-(1-phenylimidazol-2-yl)-5-(trifluoromethyl)pyrazol-1-ide);platinum(2+)
CID 168346598
Platinum(2+);bis(3-(1-propan-2-ylimidazol-2-yl)-5-(trifluoromethyl)pyrazol-1-ide)
CID 168346599
Platinum(2+);3-(1-propan-2-ylimidazol-2-yl)-5-(trifluoromethyl)pyrazol-1-ide;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine
CID 168346600
Diphenyltetraazaporphyrin
CID 132426902
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide
CID 57668487
bis(1-(2,4-difluorobenzene-6-id-1-yl)-3-methyl-2H-benzimidazol-3-ium-2-ide);iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738240
bis(4,5-dimethyl-1-phenyl-3-phenyl-2H-imidazol-1-ium-2-ide);iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738246
bis(1-(2,4-difluorobenzene-6-id-1-yl)-3-(2,4-difluorophenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738558
3-(1,1-Difluoroethyl)-4-phenyl-5-phenyl-1,2,4-triazole;iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 58426438
Iridium;4-phenyl-3-phenyl-5-(1,1,2,2-tetrafluoropropyl)-1,2,4-triazole;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 58426452
3-(1,1-Difluoropentyl)-4-phenyl-5-phenyl-1,2,4-triazole;iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 58426468
5-(1-Phenylimidazol-4-yl)-3-(trifluoromethyl)pyrazol-1-ide;ZINC
CID 58858984

Frequently Asked Questions

What is the IUPAC name of bis(3-(1-methylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene);bis(3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide);3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));3-(1-propan-2-ylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene?
The IUPAC name of bis(3-(1-methylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene);bis(3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide);3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));3-(1-propan-2-ylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene (CID 161076514) is bis(3-(1-methylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene);bis(3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide);3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));3-(1-propan-2-ylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene.
What is the SMILES notation for bis(3-(1-methylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene);bis(3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide);3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));3-(1-propan-2-ylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene?
The canonical SMILES for bis(3-(1-methylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene);bis(3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide);3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));3-(1-propan-2-ylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene is CC(C)n1ccnc1-c1nc(C(F)(F)F)n[n-]1.Cc1cc(-c2nccn2-c2ccccc2)[n-]n1.Cc1cc(-c2nccn2-c2ccccc2)[n-]n1.Cc1cc(-c2nccn2C(C)C)[n-]n1.Cn1ccnc1-c1nc(C(F)(F)F)n[n-]1.Cn1ccnc1-c1nc(C(F)(F)F)n[n-]1.[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of bis(3-(1-methylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene);bis(3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide);3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));3-(1-propan-2-ylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene?
The InChIKey is UFISFRKDEOFZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H11N4.C10H13N4.C9H9F3N5.2C7H5F3N5.3Pt/c2*1-10-9-12(16-15-10)13-14-7-8-17(13)11-5-3-2-4-6-11;1-7(2)14-5-4-11-10(14)9-6-8(3)12-13-9;1-5(2)17-4-3-13-7(17)6-14-8(16-15-6)9(10,11)12;2*1-15-3-2-11-5(15)4-12-6(14-13-4)7(8,9)10;;;/h2*2-9H,1H3;4-7H,1-3H3;3-5H,1-2H3;2*2-3H,1H3;;;/q6*-1;3*+2.
What are the key properties of bis(3-(1-methylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene);bis(3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide);3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));3-(1-propan-2-ylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene?
bis(3-(1-methylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene);bis(3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide);3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));3-(1-propan-2-ylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene has a molecular weight of 1897.49 g/mol, XLogP of 9.79, 10 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-(1-methylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene);bis(3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide);3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));3-(1-propan-2-ylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene is sourced from PubChem (CID 161076514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).