[6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine
C110H105Ir3N7O3Si3-6 — CID 157083859
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC[6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine
SMILESCC(C)Cc1cc(-c2[c-]cc3oc4ccccc4c3c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cc3c(c2)oc2ccccc23)ncc1[Si](C)(C)C.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc2c(n1)oc1c[c-]c(-c3cc(CC(C)C)c([Si](C)(C)c4ccccc4)cn3)cc12.Cc1ccnc(-c2[c-]cccc2)c1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir]
InChIInChI=1S/C29H29N2OSi.C24H26NOSi.C21H20NOSi.3C12H10N.3Ir/c1-19(2)15-22-17-26(30-18-28(22)33(4,5)23-9-7-6-8-10-23)21-12-14-27-25(16-21)24-13-11-20(3)31-29(24)32-27;1-16(2)12-18-14-21(25-15-24(18)27(3,4)5)17-10-11-23-20(13-17)19-8-6-7-9-22(19)26-23;1-14-11-18(22-13-21(14)24(2,3)4)15-9-10-17-16-7-5-6-8-19(16)23-20(17)12-15;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;/h6-11,13-14,16-19H,15H2,1-5H3;6-9,11,13-16H,12H2,1-5H3;5-8,10-13H,1-4H3;2-7,9H,1H3;2*2-5,7-9H,1H3;;;/q6*-1;;;/i;;;1D3;;;;;
InChIKeySQJMCFDPIANMRF-WOCRSOJBSA-N
MW2237.02 g/mol
LogP26.23
Rot. Bonds15
About [6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine
[6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine (PubChem CID 157083859) has the molecular formula C110H105Ir3N7O3Si3-6 and a molecular weight of 2237.02 g/mol. Its IUPAC name is [6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine.
Molecular Properties
| Compound Name | [6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine |
|---|---|
| PubChem CID | 157083859 |
| Molecular Formula | C110H105Ir3N7O3Si3-6 |
| Molecular Weight | 2237.02 g/mol |
| Exact Mass | 2237.67 |
| IUPAC Name | [6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine |
| SMILES | CC(C)Cc1cc(-c2[c-]cc3oc4ccccc4c3c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cc3c(c2)oc2ccccc23)ncc1[Si](C)(C)C.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc2c(n1)oc1c[c-]c(-c3cc(CC(C)C)c([Si](C)(C)c4ccccc4)cn3)cc12.Cc1ccnc(-c2[c-]cccc2)c1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir] |
| InChI | InChI=1S/C29H29N2OSi.C24H26NOSi.C21H20NOSi.3C12H10N.3Ir/c1-19(2)15-22-17-26(30-18-28(22)33(4,5)23-9-7-6-8-10-23)21-12-14-27-25(16-21)24-13-11-20(3)31-29(24)32-27;1-16(2)12-18-14-21(25-15-24(18)27(3,4)5)17-10-11-23-20(13-17)19-8-6-7-9-22(19)26-23;1-14-11-18(22-13-21(14)24(2,3)4)15-9-10-17-16-7-5-6-8-19(16)23-20(17)12-15;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;/h6-11,13-14,16-19H,15H2,1-5H3;6-9,11,13-16H,12H2,1-5H3;5-8,10-13H,1-4H3;2-7,9H,1H3;2*2-5,7-9H,1H3;;;/q6*-1;;;/i;;;1D3;;;;; |
| InChIKey | SQJMCFDPIANMRF-WOCRSOJBSA-N |
| XLogP | 26.23 |
| TPSA | 129.65 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 126 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2237.02 |
| LogP ≤ 5 | 26.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
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 [6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine?
The IUPAC name of [6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine (CID 157083859) is [6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine.
What is the SMILES notation for [6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine?
The canonical SMILES for [6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine is CC(C)Cc1cc(-c2[c-]cc3oc4ccccc4c3c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cc3c(c2)oc2ccccc23)ncc1[Si](C)(C)C.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc2c(n1)oc1c[c-]c(-c3cc(CC(C)C)c([Si](C)(C)c4ccccc4)cn3)cc12.Cc1ccnc(-c2[c-]cccc2)c1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].
What is the InChIKey of [6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine?
The InChIKey is SQJMCFDPIANMRF-WOCRSOJBSA-N. The full InChI is InChI=1S/C29H29N2OSi.C24H26NOSi.C21H20NOSi.3C12H10N.3Ir/c1-19(2)15-22-17-26(30-18-28(22)33(4,5)23-9-7-6-8-10-23)21-12-14-27-25(16-21)24-13-11-20(3)31-29(24)32-27;1-16(2)12-18-14-21(25-15-24(18)27(3,4)5)17-10-11-23-20(13-17)19-8-6-7-9-22(19)26-23;1-14-11-18(22-13-21(14)24(2,3)4)15-9-10-17-16-7-5-6-8-19(16)23-20(17)12-15;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;/h6-11,13-14,16-19H,15H2,1-5H3;6-9,11,13-16H,12H2,1-5H3;5-8,10-13H,1-4H3;2-7,9H,1H3;2*2-5,7-9H,1H3;;;/q6*-1;;;/i;;;1D3;;;;;.
What are the key properties of [6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine?
[6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine has a molecular weight of 2237.02 g/mol, XLogP of 26.23, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzofuran-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-phenylsilane;tris(iridium);4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine is sourced from PubChem (CID 157083859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157083859 — identifiers, structure, computed properties (public domain)
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