C153H206Ge3Ir4N8O8Si-4 — CID 163976683
[4-(3,5-dimethylbenzene-6-id-1-yl)-2,10-dimethylbenzo[h]quinazolin-8-yl]-trimethylgermane;[4-(3,5-dimethylbenzene-6-id-1-yl)-2-methylbenzo[h]quinazolin-10-yl]-trimethylgermane;[4-(3,5-dimethylbenzene-6-id-1-yl)-2,8,10-trimethylbenzo[h]quinazolin-9-yl]-trimethylgermane;[4-(3,5-dimethylbenzene-6-id-1-yl)-2,8,10-trimethylbenzo[h]quinazolin-9-yl]-trimethylsilane;tetrakis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium) (PubChem CID 163976683) has the molecular formula C153H206Ge3Ir4N8O8Si-4 and a molecular weight of 3300.16 g/mol. Its IUPAC name is [4-(3,5-dimethylbenzene-6-id-1-yl)-2,10-dimethylbenzo[h]quinazolin-8-yl]-trimethylgermane;[4-(3,5-dimethylbenzene-6-id-1-yl)-2-methylbenzo[h]quinazolin-10-yl]-trimethylgermane;[4-(3,5-dimethylbenzene-6-id-1-yl)-2,8,10-trimethylbenzo[h]quinazolin-9-yl]-trimethylgermane;[4-(3,5-dimethylbenzene-6-id-1-yl)-2,8,10-trimethylbenzo[h]quinazolin-9-yl]-trimethylsilane;tetrakis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium).
| Compound Name | [4-(3,5-dimethylbenzene-6-id-1-yl)-2,10-dimethylbenzo[h]quinazolin-8-yl]-trimethylgermane;[4-(3,5-dimethylbenzene-6-id-1-yl)-2-methylbenzo[h]quinazolin-10-yl]-trimethylgermane;[4-(3,5-dimethylbenzene-6-id-1-yl)-2,8,10-trimethylbenzo[h]quinazolin-9-yl]-trimethylgermane;[4-(3,5-dimethylbenzene-6-id-1-yl)-2,8,10-trimethylbenzo[h]quinazolin-9-yl]-trimethylsilane;tetrakis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium) |
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| PubChem CID | 163976683 |
| Molecular Formula | C153H206Ge3Ir4N8O8Si-4 |
| Molecular Weight | 3300.16 g/mol |
| Exact Mass | 3305.19 |
| IUPAC Name | [4-(3,5-dimethylbenzene-6-id-1-yl)-2,10-dimethylbenzo[h]quinazolin-8-yl]-trimethylgermane;[4-(3,5-dimethylbenzene-6-id-1-yl)-2-methylbenzo[h]quinazolin-10-yl]-trimethylgermane;[4-(3,5-dimethylbenzene-6-id-1-yl)-2,8,10-trimethylbenzo[h]quinazolin-9-yl]-trimethylgermane;[4-(3,5-dimethylbenzene-6-id-1-yl)-2,8,10-trimethylbenzo[h]quinazolin-9-yl]-trimethylsilane;tetrakis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium) |
| SMILES | CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.Cc1[c-]c(-c2nc(C)nc3c2ccc2cc(C)c([Ge](C)(C)C)c(C)c23)cc(C)c1.Cc1[c-]c(-c2nc(C)nc3c2ccc2cc(C)c([Si](C)(C)C)c(C)c23)cc(C)c1.Cc1[c-]c(-c2nc(C)nc3c2ccc2cc([Ge](C)(C)C)cc(C)c23)cc(C)c1.Cc1[c-]c(-c2nc(C)nc3c2ccc2cccc([Ge](C)(C)C)c23)cc(C)c1.[Ir].[Ir].[Ir].[Ir] |
| InChI | InChI=1S/C26H29GeN2.C26H29N2Si.C25H27GeN2.C24H25GeN2.4C13H24O2.4Ir/c1-15-11-16(2)13-21(12-15)25-22-10-9-20-14-17(3)24(27(6,7)8)18(4)23(20)26(22)29-19(5)28-25;1-15-11-16(2)13-21(12-15)24-22-10-9-20-14-17(3)26(29(6,7)8)18(4)23(20)25(22)28-19(5)27-24;1-15-10-16(2)12-20(11-15)24-22-9-8-19-14-21(26(5,6)7)13-17(3)23(19)25(22)28-18(4)27-24;1-15-12-16(2)14-19(13-15)23-20-11-10-18-8-7-9-21(25(4,5)6)22(18)24(20)27-17(3)26-23;4*1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;;;;/h2*9-12,14H,1-8H3;8-11,13-14H,1-7H3;7-13H,1-6H3;4*9,14H,7-8H2,1-6H3;;;;/q4*-1;;;;;;;; |
| InChIKey | MSWGNOJNCYEDFR-UHFFFAOYSA-N |
| XLogP | 39.89 |
| TPSA | 252.32 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 177 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3300.16 |
| LogP ≤ 5 | 39.89 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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