hexakis(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;tris(iridium(3+));5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide

C143H120F15Ir3N24O6 — CID 158493053

IUPAChexakis(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;tris(iridium(3+));5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide
SMILESCCOc1cc(F)c[c-]c1-c1ccn(Cc2ccccc2)n1.CCOc1cc(F)c[c-]c1-c1ccn(Cc2ccccc2)n1.CCOc1cc(F)c[c-]c1-c1ccn(Cc2ccccc2)n1.CCOc1cc(F)c[c-]c1-c1ccn(Cc2ccccc2)n1.CCOc1cc(F)c[c-]c1-c1ccn(Cc2ccccc2)n1.CCOc1cc(F)c[c-]c1-c1ccn(Cc2ccccc2)n1.Cn1ccnc1-c1cc(C(F)(F)F)n[n-]1.FC(F)(F)c1cc(-c2nccn2-c2ccccc2)[n-]n1.FC(F)(F)c1cc(-c2nccn2Cc2ccccc2)[n-]n1.[Ir+3].[Ir+3].[Ir+3]
InChIInChI=1S/6C18H16FN2O.C14H10F3N4.C13H8F3N4.C8H6F3N4.3Ir/c6*1-2-22-18-12-15(19)8-9-16(18)17-10-11-21(20-17)13-14-6-4-3-5-7-14;15-14(16,17)12-8-11(19-20-12)13-18-6-7-21(13)9-10-4-2-1-3-5-10;14-13(15,16)11-8-10(18-19-11)12-17-6-7-20(12)9-4-2-1-3-5-9;1-15-3-2-12-7(15)5-4-6(14-13-5)8(9,10)11;;;/h6*3-8,10-12H,2,13H2,1H3;1-8H,9H2;1-8H;2-4H,1H3;;;/q9*-1;3*+3
InChIKeyMQJWQIOWKHNIDI-UHFFFAOYSA-N
MW3132.32 g/mol
LogP30.95
Rot. Bonds36

About hexakis(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;tris(iridium(3+));5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide

hexakis(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;tris(iridium(3+));5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide (PubChem CID 158493053) has the molecular formula C143H120F15Ir3N24O6 and a molecular weight of 3132.32 g/mol. Its IUPAC name is hexakis(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;tris(iridium(3+));5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide.

Molecular Properties

Compound Namehexakis(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;tris(iridium(3+));5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide
PubChem CID158493053
Molecular FormulaC143H120F15Ir3N24O6
Molecular Weight3132.32 g/mol
Exact Mass3132.85
IUPAC Namehexakis(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;tris(iridium(3+));5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide
SMILESCCOc1cc(F)c[c-]c1-c1ccn(Cc2ccccc2)n1.CCOc1cc(F)c[c-]c1-c1ccn(Cc2ccccc2)n1.CCOc1cc(F)c[c-]c1-c1ccn(Cc2ccccc2)n1.CCOc1cc(F)c[c-]c1-c1ccn(Cc2ccccc2)n1.CCOc1cc(F)c[c-]c1-c1ccn(Cc2ccccc2)n1.CCOc1cc(F)c[c-]c1-c1ccn(Cc2ccccc2)n1.Cn1ccnc1-c1cc(C(F)(F)F)n[n-]1.FC(F)(F)c1cc(-c2nccn2-c2ccccc2)[n-]n1.FC(F)(F)c1cc(-c2nccn2Cc2ccccc2)[n-]n1.[Ir+3].[Ir+3].[Ir+3]
InChIInChI=1S/6C18H16FN2O.C14H10F3N4.C13H8F3N4.C8H6F3N4.3Ir/c6*1-2-22-18-12-15(19)8-9-16(18)17-10-11-21(20-17)13-14-6-4-3-5-7-14;15-14(16,17)12-8-11(19-20-12)13-18-6-7-21(13)9-10-4-2-1-3-5-10;14-13(15,16)11-8-10(18-19-11)12-17-6-7-20(12)9-4-2-1-3-5-9;1-15-3-2-12-7(15)5-4-6(14-13-5)8(9,10)11;;;/h6*3-8,10-12H,2,13H2,1H3;1-8H,9H2;1-8H;2-4H,1H3;;;/q9*-1;3*+3
InChIKeyMQJWQIOWKHNIDI-UHFFFAOYSA-N
XLogP30.95
TPSA296.73 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds36
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003132.32
LogP ≤ 530.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze hexakis(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;tris(iridium(3+));5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl acetate;bis(3-(1-phenylimidazol-2-yl)-5-(trifluoromethyl)pyrazol-1-ide);platinum(2+)
CID 168346598
bis(1-(2,4-dimethoxybenzene-6-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738369
bis(1-(2,4-dimethoxybenzene-6-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738556
Bis(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);iridium(3+);5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide
CID 58898662
3-(2-Ethoxy-4-fluorobenzene-6-id-1-yl)-1-methylpyrazole;iridium;5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide
CID 58898668
Bis(3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-ethylpyrazole);iridium(3+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 58898672
Bis(3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-ethylpyrazole);iridium(3+);3-(1-methylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene
CID 58898678
Bis(5-tert-butyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-methylpyrazole);iridium(3+);5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide
CID 58898681
Bis(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;iridium(3+)
CID 58898682
Bis(3-(4-fluorobenzene-6-id-1-yl)-1-methyl-5-(trifluoromethyl)pyrazole);iridium(3+);5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide
CID 58898684
Bis(3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-phenylpyrazole);iridium(3+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 58898688
Bis(3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-methylpyrazole);iridium(3+);5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide
CID 58898691

Frequently Asked Questions

What is the IUPAC name of hexakis(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;tris(iridium(3+));5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide?
The IUPAC name of hexakis(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;tris(iridium(3+));5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide (CID 158493053) is hexakis(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;tris(iridium(3+));5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide.
What is the SMILES notation for hexakis(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;tris(iridium(3+));5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide?
The canonical SMILES for hexakis(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;tris(iridium(3+));5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide is CCOc1cc(F)c[c-]c1-c1ccn(Cc2ccccc2)n1.CCOc1cc(F)c[c-]c1-c1ccn(Cc2ccccc2)n1.CCOc1cc(F)c[c-]c1-c1ccn(Cc2ccccc2)n1.CCOc1cc(F)c[c-]c1-c1ccn(Cc2ccccc2)n1.CCOc1cc(F)c[c-]c1-c1ccn(Cc2ccccc2)n1.CCOc1cc(F)c[c-]c1-c1ccn(Cc2ccccc2)n1.Cn1ccnc1-c1cc(C(F)(F)F)n[n-]1.FC(F)(F)c1cc(-c2nccn2-c2ccccc2)[n-]n1.FC(F)(F)c1cc(-c2nccn2Cc2ccccc2)[n-]n1.[Ir+3].[Ir+3].[Ir+3].
What is the InChIKey of hexakis(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;tris(iridium(3+));5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide?
The InChIKey is MQJWQIOWKHNIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/6C18H16FN2O.C14H10F3N4.C13H8F3N4.C8H6F3N4.3Ir/c6*1-2-22-18-12-15(19)8-9-16(18)17-10-11-21(20-17)13-14-6-4-3-5-7-14;15-14(16,17)12-8-11(19-20-12)13-18-6-7-21(13)9-10-4-2-1-3-5-10;14-13(15,16)11-8-10(18-19-11)12-17-6-7-20(12)9-4-2-1-3-5-9;1-15-3-2-12-7(15)5-4-6(14-13-5)8(9,10)11;;;/h6*3-8,10-12H,2,13H2,1H3;1-8H,9H2;1-8H;2-4H,1H3;;;/q9*-1;3*+3.
What are the key properties of hexakis(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;tris(iridium(3+));5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide?
hexakis(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;tris(iridium(3+));5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide has a molecular weight of 3132.32 g/mol, XLogP of 30.95, 36 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;tris(iridium(3+));5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide is sourced from PubChem (CID 158493053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).