C194H194Ir4N8OSSi4-8 — CID 161160695
[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1-cyclopentylethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;2-(4H-dibenzothiophen-4-id-3-yl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine;tetrakis(iridium);5-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;2-(2H-phenanthren-2-id-1-yl)-4-phenyl-5-propan-2-ylpyridine;4-phenyl-2-(9-phenyl-2,9-dihydrofluoren-2-id-3-yl)-5-propan-2-ylpyridine (PubChem CID 161160695) has the molecular formula C194H194Ir4N8OSSi4-8 and a molecular weight of 3567.02 g/mol. Its IUPAC name is [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1-cyclopentylethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;2-(4H-dibenzothiophen-4-id-3-yl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine;tetrakis(iridium);5-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;2-(2H-phenanthren-2-id-1-yl)-4-phenyl-5-propan-2-ylpyridine;4-phenyl-2-(9-phenyl-2,9-dihydrofluoren-2-id-3-yl)-5-propan-2-ylpyridine.
| Compound Name | [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1-cyclopentylethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;2-(4H-dibenzothiophen-4-id-3-yl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine;tetrakis(iridium);5-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;2-(2H-phenanthren-2-id-1-yl)-4-phenyl-5-propan-2-ylpyridine;4-phenyl-2-(9-phenyl-2,9-dihydrofluoren-2-id-3-yl)-5-propan-2-ylpyridine |
|---|---|
| PubChem CID | 161160695 |
| Molecular Formula | C194H194Ir4N8OSSi4-8 |
| Molecular Weight | 3567.02 g/mol |
| Exact Mass | 3567.27 |
| IUPAC Name | [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1-cyclopentylethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;2-(4H-dibenzothiophen-4-id-3-yl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine;tetrakis(iridium);5-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;2-(2H-phenanthren-2-id-1-yl)-4-phenyl-5-propan-2-ylpyridine;4-phenyl-2-(9-phenyl-2,9-dihydrofluoren-2-id-3-yl)-5-propan-2-ylpyridine |
| SMILES | CC(C)c1cnc(-c2[c-]cc3c(c2)-c2ccccc2C3c2ccccc2)cc1-c1ccccc1.CC(C)c1cnc(-c2[c-]ccc3c2ccc2ccccc23)cc1-c1ccccc1.CC(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCC1.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1C1CCCC1.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCCC1.Cc1ccc2c(c1)oc1c(-c3cc(-c4ccccc4)c(C)cn3)[c-]ccc12.Cc1cnc(-c2[c-]c3sc4ccccc4c3cc2)cc1-c1ccc(C(C)C)cc1.[Ir].[Ir].[Ir].[Ir] |
| InChI | InChI=1S/C33H26N.C28H22N.C27H22NS.C25H18NO.2C21H28NSi.C20H26NSi.C19H24NSi.4Ir/c1-22(2)31-21-34-32(20-29(31)23-11-5-3-6-12-23)25-17-18-28-30(19-25)26-15-9-10-16-27(26)33(28)24-13-7-4-8-14-24;1-19(2)27-18-29-28(17-26(27)20-9-4-3-5-10-20)25-14-8-13-23-22-12-7-6-11-21(22)15-16-24(23)25;1-17(2)19-8-10-20(11-9-19)24-15-25(28-16-18(24)3)21-12-13-23-22-6-4-5-7-26(22)29-27(23)14-21;1-16-11-12-19-20-9-6-10-21(25(20)27-24(19)13-16)23-14-22(17(2)15-26-23)18-7-4-3-5-8-18;1-16(17-10-8-9-11-17)19-14-20(18-12-6-5-7-13-18)22-15-21(19)23(2,3)4;1-23(2,3)21-16-22-20(18-12-8-5-9-13-18)15-19(21)14-17-10-6-4-7-11-17;1-22(2,3)20-15-21-19(17-11-5-4-6-12-17)14-18(20)13-16-9-7-8-10-16;1-21(2,3)19-14-20-18(16-11-5-4-6-12-16)13-17(19)15-9-7-8-10-15;;;;/h3-16,18-22,33H,1-2H3;3-13,15-19H,1-2H3;4-13,15-17H,1-3H3;3-9,11-15H,1-2H3;5-7,12,14-17H,8-11H2,1-4H3;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;4-6,11,14-16H,7-10,13H2,1-3H3;4-6,11,13-15H,7-10H2,1-3H3;;;;/q8*-1;;;; |
| InChIKey | XLAPYWZMGNWNLE-UHFFFAOYSA-N |
| XLogP | 51.07 |
| TPSA | 116.26 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 212 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3567.02 |
| LogP ≤ 5 | 51.07 |
| 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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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