1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-phenylpyrazole
C106H86Ir3N12OS-4 — CID 159824292
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-phenylpyrazole
SMILESCN1C=CN(c2[c-]cc(-c3ccc4c(c3)oc3ccccc34)cc2)[CH-]1.CN1C=CN(c2[c-]cc(-c3ccc4c(c3)sc3ccccc34)cc2)[CH-]1.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.Cc1cc(-c2ccccc2)cc(C)c1-c1c[c-]c(N2[CH-]N(C)c3ccccc32)cc1.Cc1cc(C)n(-c2[c-]cccc2)n1.[Ir+3].[Ir+3].[Ir].[c-]1ccccc1-n1cccn1
InChIInChI=1S/C28H24N2.C22H16N2O.C22H16N2S.C14H12N2.C11H11N2.C9H7N2.3Ir/c1-20-17-24(22-9-5-4-6-10-22)18-21(2)28(20)23-13-15-25(16-14-23)30-19-29(3)26-11-7-8-12-27(26)30;2*1-23-12-13-24(15-23)18-9-6-16(7-10-18)17-8-11-20-19-4-2-3-5-21(19)25-22(20)14-17;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;1-2-5-9(6-3-1)11-8-4-7-10-11;;;/h4-15,17-19H,1-3H3;2*2-9,11-15H,1H3;2-7,9-11H,1H3;3-6,8H,1-2H3;1-5,7-8H;;;/q4*-2;2*-1;;2*+3
InChIKeyGXVROGYRJAMYCM-UHFFFAOYSA-N
MW2152.65 g/mol
LogP25.55
Rot. Bonds10
About 1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-phenylpyrazole
1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-phenylpyrazole (PubChem CID 159824292) has the molecular formula C106H86Ir3N12OS-4 and a molecular weight of 2152.65 g/mol. Its IUPAC name is 1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-phenylpyrazole.
Molecular Properties
| Compound Name | 1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-phenylpyrazole |
|---|---|
| PubChem CID | 159824292 |
| Molecular Formula | C106H86Ir3N12OS-4 |
| Molecular Weight | 2152.65 g/mol |
| Exact Mass | 2153.57 |
| IUPAC Name | 1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-phenylpyrazole |
| SMILES | CN1C=CN(c2[c-]cc(-c3ccc4c(c3)oc3ccccc34)cc2)[CH-]1.CN1C=CN(c2[c-]cc(-c3ccc4c(c3)sc3ccccc34)cc2)[CH-]1.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.Cc1cc(-c2ccccc2)cc(C)c1-c1c[c-]c(N2[CH-]N(C)c3ccccc32)cc1.Cc1cc(C)n(-c2[c-]cccc2)n1.[Ir+3].[Ir+3].[Ir].[c-]1ccccc1-n1cccn1 |
| InChI | InChI=1S/C28H24N2.C22H16N2O.C22H16N2S.C14H12N2.C11H11N2.C9H7N2.3Ir/c1-20-17-24(22-9-5-4-6-10-22)18-21(2)28(20)23-13-15-25(16-14-23)30-19-29(3)26-11-7-8-12-27(26)30;2*1-23-12-13-24(15-23)18-9-6-16(7-10-18)17-8-11-20-19-4-2-3-5-21(19)25-22(20)14-17;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;1-2-5-9(6-3-1)11-8-4-7-10-11;;;/h4-15,17-19H,1-3H3;2*2-9,11-15H,1H3;2-7,9-11H,1H3;3-6,8H,1-2H3;1-5,7-8H;;;/q4*-2;2*-1;;2*+3 |
| InChIKey | GXVROGYRJAMYCM-UHFFFAOYSA-N |
| XLogP | 25.55 |
| TPSA | 74.70 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 123 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2152.65 |
| LogP ≤ 5 | 25.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-phenylpyrazole?
The IUPAC name of 1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-phenylpyrazole (CID 159824292) is 1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-phenylpyrazole.
What is the SMILES notation for 1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-phenylpyrazole?
The canonical SMILES for 1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-phenylpyrazole is CN1C=CN(c2[c-]cc(-c3ccc4c(c3)oc3ccccc34)cc2)[CH-]1.CN1C=CN(c2[c-]cc(-c3ccc4c(c3)sc3ccccc34)cc2)[CH-]1.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.Cc1cc(-c2ccccc2)cc(C)c1-c1c[c-]c(N2[CH-]N(C)c3ccccc32)cc1.Cc1cc(C)n(-c2[c-]cccc2)n1.[Ir+3].[Ir+3].[Ir].[c-]1ccccc1-n1cccn1.
What is the InChIKey of 1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-phenylpyrazole?
The InChIKey is GXVROGYRJAMYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2.C22H16N2O.C22H16N2S.C14H12N2.C11H11N2.C9H7N2.3Ir/c1-20-17-24(22-9-5-4-6-10-22)18-21(2)28(20)23-13-15-25(16-14-23)30-19-29(3)26-11-7-8-12-27(26)30;2*1-23-12-13-24(15-23)18-9-6-16(7-10-18)17-8-11-20-19-4-2-3-5-21(19)25-22(20)14-17;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;1-2-5-9(6-3-1)11-8-4-7-10-11;;;/h4-15,17-19H,1-3H3;2*2-9,11-15H,1H3;2-7,9-11H,1H3;3-6,8H,1-2H3;1-5,7-8H;;;/q4*-2;2*-1;;2*+3.
What are the key properties of 1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-phenylpyrazole?
1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-phenylpyrazole has a molecular weight of 2152.65 g/mol, XLogP of 25.55, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-(4-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-phenylpyrazole is sourced from PubChem (CID 159824292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 159824292 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.