4-dibenzofuran-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzoselenophen-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;pentakis(iridium)

C115H85Ir5N10O4S3Se-5 — CID 158778657

About 4-dibenzofuran-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzoselenophen-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;pentakis(iridium)

4-dibenzofuran-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzoselenophen-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;pentakis(iridium) (PubChem CID 158778657) has the molecular formula C115H85Ir5N10O4S3Se-5 and a molecular weight of 2807.26 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzoselenophen-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;pentakis(iridium).

Molecular Properties

• Compound Name: 4-dibenzofuran-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzoselenophen-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;pentakis(iridium)
• PubChem CID: 158778657
• Molecular Formula: C115H85Ir5N10O4S3Se-5
• Molecular Weight: 2807.26 g/mol
• Exact Mass: 2810.33
• IUPAC Name: 4-dibenzofuran-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzoselenophen-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;pentakis(iridium)
• SMILES: Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc2[se]c3ccccc3c2c1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc2c(c1)-c1ccccc1S2(=O)=O.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc2c(c1)-c1ccccc1S2=O.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc2oc3ccccc3c2c1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc2sc3ccccc3c2c1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C23H17N2O2S.C23H17N2OS.C23H17N2O.C23H17N2S.C23H17N2Se.5Ir/c1-15-23(16(2)25(24-15)18-8-4-3-5-9-18)17-12-13-22-20(14-17)19-10-6-7-11-21(19)28(22,26)27;1-15-23(16(2)25(24-15)18-8-4-3-5-9-18)17-12-13-22-20(14-17)19-10-6-7-11-21(19)27(22)26;3*1-15-23(16(2)25(24-15)18-8-4-3-5-9-18)17-12-13-22-20(14-17)19-10-6-7-11-21(19)26-22;;;;;/h3-8,10-14H,1-2H3;3-8,10-14H,1-2H3;3*3-8,10-14H,1-2H3;;;;;/q5*-1
• InChIKey: GSIAPGLADPQHKE-UHFFFAOYSA-N
• XLogP: 27.36
• TPSA: 153.45 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2807.26
LogP ≤ 5	27.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzoselenophen-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;pentakis(iridium)?

The IUPAC name of 4-dibenzofuran-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzoselenophen-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;pentakis(iridium) (CID 158778657) is 4-dibenzofuran-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzoselenophen-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;pentakis(iridium).

What is the SMILES notation for 4-dibenzofuran-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzoselenophen-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;pentakis(iridium)?

The canonical SMILES for 4-dibenzofuran-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzoselenophen-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;pentakis(iridium) is Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc2[se]c3ccccc3c2c1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc2c(c1)-c1ccccc1S2(=O)=O.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc2c(c1)-c1ccccc1S2=O.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc2oc3ccccc3c2c1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc2sc3ccccc3c2c1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 4-dibenzofuran-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzoselenophen-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;pentakis(iridium)?

The InChIKey is GSIAPGLADPQHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N2O2S.C23H17N2OS.C23H17N2O.C23H17N2S.C23H17N2Se.5Ir/c1-15-23(16(2)25(24-15)18-8-4-3-5-9-18)17-12-13-22-20(14-17)19-10-6-7-11-21(19)28(22,26)27;1-15-23(16(2)25(24-15)18-8-4-3-5-9-18)17-12-13-22-20(14-17)19-10-6-7-11-21(19)27(22)26;3*1-15-23(16(2)25(24-15)18-8-4-3-5-9-18)17-12-13-22-20(14-17)19-10-6-7-11-21(19)26-22;;;;;/h3-8,10-14H,1-2H3;3-8,10-14H,1-2H3;3*3-8,10-14H,1-2H3;;;;;/q5*-1;;;;;.

What are the key properties of 4-dibenzofuran-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzoselenophen-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;pentakis(iridium)?

4-dibenzofuran-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzoselenophen-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;pentakis(iridium) has a molecular weight of 2807.26 g/mol, XLogP of 27.36, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-dibenzofuran-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzoselenophen-2-yl-3,5-dimethyl-1-phenylpyrazole;4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;pentakis(iridium) is sourced from PubChem (CID 158778657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).