C135H123Ir3N7O3Si-6 — CID 163672840
2-(7-benzyl-3H-dibenzofuran-3-id-4-yl)-4-tert-butylpyridine;2-(9-benzyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;4-(cyclohexylmethyl)-5-methyl-2-phenylpyridine;4-(cyclopentylmethyl)-2-[1-(pyridin-4-ylmethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;tris(iridium);5-methyl-4-phenyl-2-phenylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 163672840) has the molecular formula C135H123Ir3N7O3Si-6 and a molecular weight of 2496.25 g/mol. Its IUPAC name is 2-(7-benzyl-3H-dibenzofuran-3-id-4-yl)-4-tert-butylpyridine;2-(9-benzyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;4-(cyclohexylmethyl)-5-methyl-2-phenylpyridine;4-(cyclopentylmethyl)-2-[1-(pyridin-4-ylmethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;tris(iridium);5-methyl-4-phenyl-2-phenylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane.
| Compound Name | 2-(7-benzyl-3H-dibenzofuran-3-id-4-yl)-4-tert-butylpyridine;2-(9-benzyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;4-(cyclohexylmethyl)-5-methyl-2-phenylpyridine;4-(cyclopentylmethyl)-2-[1-(pyridin-4-ylmethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;tris(iridium);5-methyl-4-phenyl-2-phenylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane |
|---|---|
| PubChem CID | 163672840 |
| Molecular Formula | C135H123Ir3N7O3Si-6 |
| Molecular Weight | 2496.25 g/mol |
| Exact Mass | 2496.84 |
| IUPAC Name | 2-(7-benzyl-3H-dibenzofuran-3-id-4-yl)-4-tert-butylpyridine;2-(9-benzyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;4-(cyclohexylmethyl)-5-methyl-2-phenylpyridine;4-(cyclopentylmethyl)-2-[1-(pyridin-4-ylmethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;tris(iridium);5-methyl-4-phenyl-2-phenylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane |
| SMILES | CC(C)(C)c1ccnc(-c2[c-]ccc3c2oc2cc(Cc4ccccc4)ccc23)c1.CC(C)c1ccnc(-c2[c-]ccc3c2oc2cccc(Cc4ccccc4)c23)c1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cnc(-c2[c-]cccc2)cc1-c1ccccc1.Cc1cnc(-c2[c-]cccc2)cc1CC1CCCCC1.[Ir].[Ir].[Ir].[c-]1cc(Cc2ccncc2)c2c(oc3ccccc32)c1-c1cc(CC2CCCC2)ccn1 |
| InChI | InChI=1S/C29H25N2O.C28H24NO.C27H22NO.C19H22N.C18H14N.C14H16NSi.3Ir/c1-2-6-20(5-1)17-22-13-16-31-26(19-22)24-10-9-23(18-21-11-14-30-15-12-21)28-25-7-3-4-8-27(25)32-29(24)28;1-28(2,3)21-14-15-29-25(18-21)24-11-7-10-23-22-13-12-20(17-26(22)30-27(23)24)16-19-8-5-4-6-9-19;1-18(2)20-14-15-28-24(17-20)22-11-7-12-23-26-21(16-19-8-4-3-5-9-19)10-6-13-25(26)29-27(22)23;1-15-14-20-19(17-10-6-3-7-11-17)13-18(15)12-16-8-4-2-5-9-16;1-14-13-19-18(16-10-6-3-7-11-16)12-17(14)15-8-4-2-5-9-15;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;/h3-4,7-9,11-16,19-20H,1-2,5-6,17-18H2;4-10,12-15,17-18H,16H2,1-3H3;3-10,12-15,17-18H,16H2,1-2H3;3,6-7,10,13-14,16H,2,4-5,8-9,12H2,1H3;2-10,12-13H,1H3;4-7,9-11H,1-3H3;;;/q6*-1;;; |
| InChIKey | CVRNUFMEXKVQFV-UHFFFAOYSA-N |
| XLogP | 34.26 |
| TPSA | 129.65 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 149 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2496.25 |
| LogP ≤ 5 | 34.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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