C161H148Ir4N10OSSi4-8 — CID 157139248
[6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;[6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(4-methyl-2-phenylpyridine);trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane (PubChem CID 157139248) has the molecular formula C161H148Ir4N10OSSi4-8 and a molecular weight of 3152.30 g/mol. Its IUPAC name is [6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;[6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(4-methyl-2-phenylpyridine);trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane.
| Compound Name | [6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;[6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(4-methyl-2-phenylpyridine);trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane |
|---|---|
| PubChem CID | 157139248 |
| Molecular Formula | C161H148Ir4N10OSSi4-8 |
| Molecular Weight | 3152.30 g/mol |
| Exact Mass | 3152.92 |
| IUPAC Name | [6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;[6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(4-methyl-2-phenylpyridine);trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane |
| SMILES | CC(C)Cc1cc(-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2[c-]cc3oc4ccccc4c3c2)ncc1[Si](C)(C)c1ccccc1.CCn1c2c[c-]c(-c3cc(-c4ccccc4)c([Si](C)(C)C)cn3)cc2c2ccccc21.C[Si](C)(C)c1cnc(-c2[c-]cc3sc4ccccc4c3c2)cc1-c1ccccc1.Cc1ccnc(-c2[c-]cccc2)c1.Cc1ccnc(-c2[c-]cccc2)c1.Cc1ccnc(-c2[c-]cccc2)c1.Cc1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir] |
| InChI | InChI=1S/C30H31N2Si.C29H28NOSi.C28H27N2Si.C26H22NSSi.4C12H10N.4Ir/c1-21(2)17-23-19-27(31-20-30(23)33(3,4)5)22-15-16-29-26(18-22)25-13-9-10-14-28(25)32(29)24-11-7-6-8-12-24;1-20(2)16-22-18-26(30-19-29(22)32(3,4)23-10-6-5-7-11-23)21-14-15-28-25(17-21)24-12-8-9-13-27(24)31-28;1-5-30-26-14-10-9-13-22(26)24-17-21(15-16-27(24)30)25-18-23(20-11-7-6-8-12-20)28(19-29-25)31(2,3)4;1-29(2,3)26-17-27-23(16-21(26)18-9-5-4-6-10-18)19-13-14-25-22(15-19)20-11-7-8-12-24(20)28-25;4*1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;;;;/h6-14,16,18-21H,17H2,1-5H3;5-13,15,17-20H,16H2,1-4H3;6-14,16-19H,5H2,1-4H3;4-12,14-17H,1-3H3;4*2-5,7-9H,1H3;;;;/q8*-1;;;; |
| InChIKey | TVKHEWSNQSCJDB-UHFFFAOYSA-N |
| XLogP | 39.30 |
| TPSA | 126.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 181 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3152.30 |
| LogP ≤ 5 | 39.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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