C365H341Ir10N23O4S3Si15-20 — CID 157109453
[4-cyclopentyl-6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzothiophen-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(9-ethyl-2H-carbazol-2-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;decakis(iridium);heptakis(2-phenylpyridine);trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-3H-carbazol-3-id-2-yl)-3-pyridinyl]silane;trimethyl-[6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane;trimethyl-(2-phenyl-3-pyridinyl)silane;trimethyl-(2-phenyl-4-pyridinyl)silane;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 157109453) has the molecular formula C365H341Ir10N23O4S3Si15-20 and a molecular weight of 7553.56 g/mol. Its IUPAC name is [4-cyclopentyl-6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzothiophen-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(9-ethyl-2H-carbazol-2-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;decakis(iridium);heptakis(2-phenylpyridine);trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-3H-carbazol-3-id-2-yl)-3-pyridinyl]silane;trimethyl-[6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane;trimethyl-(2-phenyl-3-pyridinyl)silane;trimethyl-(2-phenyl-4-pyridinyl)silane;trimethyl-(6-phenyl-3-pyridinyl)silane.
| Compound Name | [4-cyclopentyl-6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzothiophen-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(9-ethyl-2H-carbazol-2-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;decakis(iridium);heptakis(2-phenylpyridine);trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-3H-carbazol-3-id-2-yl)-3-pyridinyl]silane;trimethyl-[6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane;trimethyl-(2-phenyl-3-pyridinyl)silane;trimethyl-(2-phenyl-4-pyridinyl)silane;trimethyl-(6-phenyl-3-pyridinyl)silane |
|---|---|
| PubChem CID | 157109453 |
| Molecular Formula | C365H341Ir10N23O4S3Si15-20 |
| Molecular Weight | 7553.56 g/mol |
| Exact Mass | 7554.93 |
| IUPAC Name | [4-cyclopentyl-6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzothiophen-2-id-3-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(9-ethyl-2H-carbazol-2-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;decakis(iridium);heptakis(2-phenylpyridine);trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-3H-carbazol-3-id-2-yl)-3-pyridinyl]silane;trimethyl-[6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane;trimethyl-(2-phenyl-3-pyridinyl)silane;trimethyl-(2-phenyl-4-pyridinyl)silane;trimethyl-(6-phenyl-3-pyridinyl)silane |
| SMILES | CC(C)Cc1cc(-c2[c-]cc3c4ccccc4n(-c4ccccc4)c3c2)ncc1[Si](C)(C)C.CCn1c2ccccc2c2cc[c-]c(-c3cc(C)c([Si](C)(C)C)cn3)c21.C[Si](C)(C)c1ccc(-c2[c-]cc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)nc1.C[Si](C)(C)c1ccc(-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cc3oc4ccccc4c3c2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cc3sc4ccccc4c3c2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1cccnc1-c1[c-]cccc1.C[Si](C)(C)c1ccnc(-c2[c-]cccc2)c1.C[Si](C)(C)c1cnc(-c2[c-]cc3c(c2)S(=O)(=O)c2ccccc2-3)cc1C1CCCC1.C[Si](C)(C)c1cnc(-c2[c-]ccc3c2[Si](C)(C)c2ccccc2-3)cc1-c1ccccc1.Cc1cc(-c2[c-]cc3c(c2)sc2ccccc23)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]ccc3c2oc2ccccc23)ncc1[Si](C)(C)C.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
| InChI | InChI=1S/C32H28NSi2.C30H31N2Si.C28H28NSi2.C26H23N2Si.C25H26NO2SSi.C23H25N2Si.C21H20NOSi.C21H20NSSi.C20H18NOSi.C20H18NSSi.3C14H16NSi.7C11H8N.10Ir/c1-34(2,3)27-19-21-30(33-23-27)24-18-20-29-28-16-10-11-17-31(28)35(32(29)22-24,25-12-6-4-7-13-25)26-14-8-5-9-15-26;1-21(2)17-23-18-27(31-20-30(23)33(3,4)5)22-15-16-26-25-13-9-10-14-28(25)32(29(26)19-22)24-11-7-6-8-12-24;1-30(2,3)27-19-29-25(18-24(27)20-12-7-6-8-13-20)23-16-11-15-22-21-14-9-10-17-26(21)31(4,5)28(22)23;1-29(2,3)21-14-15-24(27-18-21)19-13-16-26-23(17-19)22-11-7-8-12-25(22)28(26)20-9-5-4-6-10-20;1-30(2,3)25-16-26-22(15-21(25)17-8-4-5-9-17)18-12-13-20-19-10-6-7-11-23(19)29(27,28)24(20)14-18;1-6-25-21-13-8-7-10-17(21)18-11-9-12-19(23(18)25)20-14-16(2)22(15-24-20)26(3,4)5;1-14-12-18(22-13-20(14)24(2,3)4)17-10-7-9-16-15-8-5-6-11-19(15)23-21(16)17;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;2*1-23(2,3)15-9-10-18(21-13-15)14-8-11-20-17(12-14)16-6-4-5-7-19(16)22-20;1-16(2,3)13-10-7-11-15-14(13)12-8-5-4-6-9-12;1-16(2,3)13-9-10-15-14(11-13)12-7-5-4-6-8-12;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;7*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;;;;;/h4-17,19-23H,1-3H3;6-14,16,18-21H,17H2,1-5H3;6-15,17-19H,1-5H3;4-12,14-18H,1-3H3;6-7,10-11,13-17H,4-5,8-9H2,1-3H3;7-11,13-15H,6H2,1-5H3;5-9,11-13H,1-4H3;5-8,10-13H,1-4H3;2*4-7,9-13H,1-3H3;4-8,10-11H,1-3H3;2*4-7,9-11H,1-3H3;7*1-6,8-9H;;;;;;;;;;/q20*-1;;;;;;;;;; |
| InChIKey | VEQBGDIBPBFISJ-UHFFFAOYSA-N |
| XLogP | 83.32 |
| TPSA | 333.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 420 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 7553.56 |
| LogP ≤ 5 | 83.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 29 |