bis(3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine);1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;tris(iridium(3+));1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-2-ide;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;tris(1-phenylpyrazole)

C88H78FIr3N18 — CID 162274367

IUPACbis(3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine);1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;tris(iridium(3+));1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-2-ide;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;tris(1-phenylpyrazole)
SMILESCN1C=CN(c2[c-]cc(F)cc2)[CH-]1.Cc1c[c-]c(N2C=CN(C)[CH-]2)cc1.Cc1cnc(-c2ccn[n-]2)c(C)c1.Cc1cnc(-c2ccn[n-]2)c(C)c1.[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.c1ccc(N2c3ccccc3N3c4ccccc4CC23)cc1
InChIInChI=1S/C20H16N2.C11H12N2.C10H9FN2.2C10H10N3.3C9H7N2.3Ir/c1-2-9-16(10-3-1)21-18-12-6-7-13-19(18)22-17-11-5-4-8-15(17)14-20(21)22;1-10-3-5-11(6-4-10)13-8-7-12(2)9-13;1-12-6-7-13(8-12)10-4-2-9(11)3-5-10;2*1-7-5-8(2)10(11-6-7)9-3-4-12-13-9;3*1-2-5-9(6-3-1)11-8-4-7-10-11;;;/h1-13,20H,14H2;3-5,7-9H,1-2H3;2-4,6-8H,1H3;2*3-6H,1-2H3;3*1-5,7-8H;;;/q;2*-2;5*-1;3*+3
InChIKeyLBLOKOQUXPTJLC-UHFFFAOYSA-N
MW1983.37 g/mol
LogP17.41
Rot. Bonds8

About bis(3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine);1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;tris(iridium(3+));1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-2-ide;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;tris(1-phenylpyrazole)

bis(3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine);1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;tris(iridium(3+));1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-2-ide;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;tris(1-phenylpyrazole) (PubChem CID 162274367) has the molecular formula C88H78FIr3N18 and a molecular weight of 1983.37 g/mol. Its IUPAC name is bis(3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine);1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;tris(iridium(3+));1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-2-ide;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;tris(1-phenylpyrazole).

Molecular Properties

Compound Namebis(3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine);1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;tris(iridium(3+));1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-2-ide;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;tris(1-phenylpyrazole)
PubChem CID162274367
Molecular FormulaC88H78FIr3N18
Molecular Weight1983.37 g/mol
Exact Mass1984.55
IUPAC Namebis(3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine);1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;tris(iridium(3+));1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-2-ide;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;tris(1-phenylpyrazole)
SMILESCN1C=CN(c2[c-]cc(F)cc2)[CH-]1.Cc1c[c-]c(N2C=CN(C)[CH-]2)cc1.Cc1cnc(-c2ccn[n-]2)c(C)c1.Cc1cnc(-c2ccn[n-]2)c(C)c1.[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.c1ccc(N2c3ccccc3N3c4ccccc4CC23)cc1
InChIInChI=1S/C20H16N2.C11H12N2.C10H9FN2.2C10H10N3.3C9H7N2.3Ir/c1-2-9-16(10-3-1)21-18-12-6-7-13-19(18)22-17-11-5-4-8-15(17)14-20(21)22;1-10-3-5-11(6-4-10)13-8-7-12(2)9-13;1-12-6-7-13(8-12)10-4-2-9(11)3-5-10;2*1-7-5-8(2)10(11-6-7)9-3-4-12-13-9;3*1-2-5-9(6-3-1)11-8-4-7-10-11;;;/h1-13,20H,14H2;3-5,7-9H,1-2H3;2-4,6-8H,1H3;2*3-6H,1-2H3;3*1-5,7-8H;;;/q;2*-2;5*-1;3*+3
InChIKeyLBLOKOQUXPTJLC-UHFFFAOYSA-N
XLogP17.41
TPSA152.66 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001983.37
LogP ≤ 517.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze bis(3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine);1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;tris(iridium(3+));1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-2-ide;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;tris(1-phenylpyrazole) with MolForge

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Related Compounds

bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-methyl-2H-benzimidazol-3-ium-2-ide);iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738094
bis(1-(2,4-difluorobenzene-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 57738187
bis(1-(2,4-difluorobenzene-6-id-1-yl)-3-methyl-2H-benzimidazol-3-ium-2-ide);iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738245
bis(1-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);iridium;2-pyrazol-2-id-3-ylpyridine
CID 57738264
iridium;bis(3-phenyl-1-phenyl-2H-benzimidazol-3-ium-2-ide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738282
iridium;bis(1-methyl-3-(10H-phenanthren-10-id-9-yl)-2H-benzimidazol-1-ium-2-ide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738355
iridium;bis(1-methyl-3-(2H-naphthalen-2-id-1-yl)-2H-benzimidazol-1-ium-2-ide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738391
iridium;bis(1-methyl-4,5-diphenyl-3-phenyl-2H-imidazol-1-ium-2-ide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738417
bis(1-(2,4-difluorobenzene-6-id-1-yl)-3-(2,4-difluorophenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738428
bis(1-(2,4-dimethylbenzene-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 57738432
bis(1-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-3-ium-2-ide);iridium;2-pyrazol-2-id-3-ylpyridine
CID 57738449
iridium;bis(1-methyl-3-phenyl-2H-benzimidazol-1-ium-2-ide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738545

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine);1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;tris(iridium(3+));1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-2-ide;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;tris(1-phenylpyrazole)?
The IUPAC name of bis(3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine);1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;tris(iridium(3+));1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-2-ide;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;tris(1-phenylpyrazole) (CID 162274367) is bis(3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine);1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;tris(iridium(3+));1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-2-ide;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;tris(1-phenylpyrazole).
What is the SMILES notation for bis(3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine);1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;tris(iridium(3+));1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-2-ide;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;tris(1-phenylpyrazole)?
The canonical SMILES for bis(3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine);1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;tris(iridium(3+));1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-2-ide;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;tris(1-phenylpyrazole) is CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.Cc1c[c-]c(N2C=CN(C)[CH-]2)cc1.Cc1cnc(-c2ccn[n-]2)c(C)c1.Cc1cnc(-c2ccn[n-]2)c(C)c1.[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.c1ccc(N2c3ccccc3N3c4ccccc4CC23)cc1.
What is the InChIKey of bis(3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine);1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;tris(iridium(3+));1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-2-ide;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;tris(1-phenylpyrazole)?
The InChIKey is LBLOKOQUXPTJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2.C11H12N2.C10H9FN2.2C10H10N3.3C9H7N2.3Ir/c1-2-9-16(10-3-1)21-18-12-6-7-13-19(18)22-17-11-5-4-8-15(17)14-20(21)22;1-10-3-5-11(6-4-10)13-8-7-12(2)9-13;1-12-6-7-13(8-12)10-4-2-9(11)3-5-10;2*1-7-5-8(2)10(11-6-7)9-3-4-12-13-9;3*1-2-5-9(6-3-1)11-8-4-7-10-11;;;/h1-13,20H,14H2;3-5,7-9H,1-2H3;2-4,6-8H,1H3;2*3-6H,1-2H3;3*1-5,7-8H;;;/q;2*-2;5*-1;3*+3.
What are the key properties of bis(3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine);1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;tris(iridium(3+));1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-2-ide;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;tris(1-phenylpyrazole)?
bis(3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine);1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;tris(iridium(3+));1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-2-ide;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;tris(1-phenylpyrazole) has a molecular weight of 1983.37 g/mol, XLogP of 17.41, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine);1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;tris(iridium(3+));1-methyl-3-(4-methylbenzene-6-id-1-yl)-2H-imidazol-2-ide;10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazole;tris(1-phenylpyrazole) is sourced from PubChem (CID 162274367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).