C132H166B2Br2ClIN18O6Si7 — CID 158239834
2-[[3-(1H-benzimidazol-2-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-4-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(1H-indol-4-yl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;4-bromo-1H-indole;(4-bromoindol-1-yl)-tert-butyl-dimethylsilane;tert-butyl-chloro-dimethylsilane;bis([1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid) (PubChem CID 158239834) has the molecular formula C132H166B2Br2ClIN18O6Si7 and a molecular weight of 2641.29 g/mol. Its IUPAC name is 2-[[3-(1H-benzimidazol-2-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-4-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(1H-indol-4-yl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;4-bromo-1H-indole;(4-bromoindol-1-yl)-tert-butyl-dimethylsilane;tert-butyl-chloro-dimethylsilane;bis([1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid).
| Compound Name | 2-[[3-(1H-benzimidazol-2-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-4-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(1H-indol-4-yl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;4-bromo-1H-indole;(4-bromoindol-1-yl)-tert-butyl-dimethylsilane;tert-butyl-chloro-dimethylsilane;bis([1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid) |
|---|---|
| PubChem CID | 158239834 |
| Molecular Formula | C132H166B2Br2ClIN18O6Si7 |
| Molecular Weight | 2641.29 g/mol |
| Exact Mass | 2636.89 |
| IUPAC Name | 2-[[3-(1H-benzimidazol-2-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-4-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(1H-indol-4-yl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;4-bromo-1H-indole;(4-bromoindol-1-yl)-tert-butyl-dimethylsilane;tert-butyl-chloro-dimethylsilane;bis([1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid) |
| SMILES | Brc1cccc2[nH]ccc12.CC(C)(C)[Si](C)(C)Cl.CC(C)(C)[Si](C)(C)n1ccc2c(-c3ccc4c(c3)c(-c3nc5ccccc5[nH]3)nn4COCC[Si](C)(C)C)cccc21.CC(C)(C)[Si](C)(C)n1ccc2c(B(O)O)cccc21.CC(C)(C)[Si](C)(C)n1ccc2c(B(O)O)cccc21.CC(C)(C)[Si](C)(C)n1ccc2c(Br)cccc21.C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3[nH]2)c2cc(I)ccc21.c1ccc2[nH]c(-c3n[nH]c4ccc(-c5cccc6[nH]ccc56)cc34)nc2c1 |
| InChI | InChI=1S/C34H43N5OSi2.C22H15N5.C20H23IN4OSi.2C14H22BNO2Si.C14H20BrNSi.C8H6BrN.C6H15ClSi/c1-34(2,3)42(7,8)39-19-18-26-25(12-11-15-31(26)39)24-16-17-30-27(22-24)32(33-35-28-13-9-10-14-29(28)36-33)37-38(30)23-40-20-21-41(4,5)6;1-2-6-20-19(5-1)24-22(25-20)21-16-12-13(8-9-18(16)26-27-21)14-4-3-7-17-15(14)10-11-23-17;1-27(2,3)11-10-26-13-25-18-9-8-14(21)12-15(18)19(24-25)20-22-16-6-4-5-7-17(16)23-20;2*1-14(2,3)19(4,5)16-10-9-11-12(15(17)18)7-6-8-13(11)16;1-14(2,3)17(4,5)16-10-9-11-12(15)7-6-8-13(11)16;9-7-2-1-3-8-6(7)4-5-10-8;1-6(2,3)8(4,5)7/h9-19,22H,20-21,23H2,1-8H3,(H,35,36);1-12,23H,(H,24,25)(H,26,27);4-9,12H,10-11,13H2,1-3H3,(H,22,23);2*6-10,17-18H,1-5H3;6-10H,1-5H3;1-5,10H;1-5H3 |
| InChIKey | GFKGUSNPXWARDX-UHFFFAOYSA-N |
| XLogP | 35.88 |
| TPSA | 301.04 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 169 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2641.29 |
| LogP ≤ 5 | 35.88 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'} |
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