C117H134B2Cl3I2N13O8Si4 — CID 160618189
5-chloro-3-iodo-2H-indazole;2-[(5-chloro-3-iodoindazol-1-yl)methoxy]ethyl-trimethylsilane;2-[[5-chloro-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;1H-indazol-5-amine;phenylboronic acid;[(E)-2-phenylethenyl]boronic acid;5-phenyl-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[5-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane (PubChem CID 160618189) has the molecular formula C117H134B2Cl3I2N13O8Si4 and a molecular weight of 2344.58 g/mol. Its IUPAC name is 5-chloro-3-iodo-2H-indazole;2-[(5-chloro-3-iodoindazol-1-yl)methoxy]ethyl-trimethylsilane;2-[[5-chloro-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;1H-indazol-5-amine;phenylboronic acid;[(E)-2-phenylethenyl]boronic acid;5-phenyl-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[5-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane.
| Compound Name | 5-chloro-3-iodo-2H-indazole;2-[(5-chloro-3-iodoindazol-1-yl)methoxy]ethyl-trimethylsilane;2-[[5-chloro-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;1H-indazol-5-amine;phenylboronic acid;[(E)-2-phenylethenyl]boronic acid;5-phenyl-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[5-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane |
|---|---|
| PubChem CID | 160618189 |
| Molecular Formula | C117H134B2Cl3I2N13O8Si4 |
| Molecular Weight | 2344.58 g/mol |
| Exact Mass | 2341.69 |
| IUPAC Name | 5-chloro-3-iodo-2H-indazole;2-[(5-chloro-3-iodoindazol-1-yl)methoxy]ethyl-trimethylsilane;2-[[5-chloro-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;1H-indazol-5-amine;phenylboronic acid;[(E)-2-phenylethenyl]boronic acid;5-phenyl-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[5-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane |
| SMILES | C(=C/c1n[nH]c2ccc(-c3ccccc3)cc12)\c1ccccc1.CCOCC[Si](C)(C)C.C[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2cc(-c3ccccc3)ccc21.C[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2cc(Cl)ccc21.C[Si](C)(C)CCOCn1nc(I)c2cc(Cl)ccc21.Clc1ccc2n[nH]c(I)c2c1.Nc1ccc2[nH]ncc2c1.OB(O)/C=C/c1ccccc1.OB(O)c1ccccc1 |
| InChI | InChI=1S/C27H30N2OSi.C21H25ClN2OSi.C21H16N2.C13H18ClIN2OSi.C8H9BO2.C7H4ClIN2.C7H7N3.C7H18OSi.C6H7BO2/c1-31(2,3)19-18-30-21-29-27-17-15-24(23-12-8-5-9-13-23)20-25(27)26(28-29)16-14-22-10-6-4-7-11-22;1-26(2,3)14-13-25-16-24-21-12-10-18(22)15-19(21)20(23-24)11-9-17-7-5-4-6-8-17;1-3-7-16(8-4-1)11-13-20-19-15-18(12-14-21(19)23-22-20)17-9-5-2-6-10-17;1-19(2,3)7-6-18-9-17-12-5-4-10(14)8-11(12)13(15)16-17;10-9(11)7-6-8-4-2-1-3-5-8;8-4-1-2-6-5(3-4)7(9)11-10-6;8-6-1-2-7-5(3-6)4-9-10-7;1-5-8-6-7-9(2,3)4;8-7(9)6-4-2-1-3-5-6/h4-17,20H,18-19,21H2,1-3H3;4-12,15H,13-14,16H2,1-3H3;1-15H,(H,22,23);4-5,8H,6-7,9H2,1-3H3;1-7,10-11H;1-3H,(H,10,11);1-4H,8H2,(H,9,10);5-7H2,1-4H3;1-5,8-9H/b16-14+;11-9+;13-11+;;7-6+;;;; |
| InChIKey | RGJBOGKWCUZRMY-SGMYUBIHSA-N |
| XLogP | 29.77 |
| TPSA | 283.36 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 149 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2344.58 |
| LogP ≤ 5 | 29.77 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'} |
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