C154H203BrCl4MgN18O13S7Si12 — CID 158272646
magnesium;chloro-dimethyl-[(5-prop-2-ynylpyrimidin-2-yl)sulfanylmethyl]silane;[5-(chloromethyl)pyrimidin-2-yl]sulfanylmethyl-[[5-(chloromethyl)pyrimidin-2-yl]sulfanylmethyl-dimethylsilyl]oxy-dimethylsilane;[dimethyl-[(5-prop-2-ynylpyrimidin-2-yl)sulfanylmethyl]silyl]oxy-dimethyl-[(5-prop-2-ynylpyrimidin-2-yl)sulfanylmethyl]silane;3-[[dimethyl-[(5-prop-2-ynylpyrimidin-2-yl)sulfanylmethyl]silyl]oxy-dimethylsilyl]propan-1-amine;ethyne;9H-fluoren-9-ylmethyl N-[3-[chloro(dimethyl)silyl]propyl]carbamate;9H-fluoren-9-ylmethyl 5-[[dimethyl-[(5-prop-2-ynylpyrimidin-2-yl)sulfanylmethyl]silyl]oxy-dimethylsilyl]pentanoate;9H-fluoren-9-ylmethyl N-[3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]carbamate;hydride;hydrobromide (PubChem CID 158272646) has the molecular formula C154H203BrCl4MgN18O13S7Si12 and a molecular weight of 3321.95 g/mol. Its IUPAC name is magnesium;chloro-dimethyl-[(5-prop-2-ynylpyrimidin-2-yl)sulfanylmethyl]silane;[5-(chloromethyl)pyrimidin-2-yl]sulfanylmethyl-[[5-(chloromethyl)pyrimidin-2-yl]sulfanylmethyl-dimethylsilyl]oxy-dimethylsilane;[dimethyl-[(5-prop-2-ynylpyrimidin-2-yl)sulfanylmethyl]silyl]oxy-dimethyl-[(5-prop-2-ynylpyrimidin-2-yl)sulfanylmethyl]silane;3-[[dimethyl-[(5-prop-2-ynylpyrimidin-2-yl)sulfanylmethyl]silyl]oxy-dimethylsilyl]propan-1-amine;ethyne;9H-fluoren-9-ylmethyl N-[3-[chloro(dimethyl)silyl]propyl]carbamate;9H-fluoren-9-ylmethyl 5-[[dimethyl-[(5-prop-2-ynylpyrimidin-2-yl)sulfanylmethyl]silyl]oxy-dimethylsilyl]pentanoate;9H-fluoren-9-ylmethyl N-[3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]carbamate;hydride;hydrobromide.
| Compound Name | magnesium;chloro-dimethyl-[(5-prop-2-ynylpyrimidin-2-yl)sulfanylmethyl]silane;[5-(chloromethyl)pyrimidin-2-yl]sulfanylmethyl-[[5-(chloromethyl)pyrimidin-2-yl]sulfanylmethyl-dimethylsilyl]oxy-dimethylsilane;[dimethyl-[(5-prop-2-ynylpyrimidin-2-yl)sulfanylmethyl]silyl]oxy-dimethyl-[(5-prop-2-ynylpyrimidin-2-yl)sulfanylmethyl]silane;3-[[dimethyl-[(5-prop-2-ynylpyrimidin-2-yl)sulfanylmethyl]silyl]oxy-dimethylsilyl]propan-1-amine;ethyne;9H-fluoren-9-ylmethyl N-[3-[chloro(dimethyl)silyl]propyl]carbamate;9H-fluoren-9-ylmethyl 5-[[dimethyl-[(5-prop-2-ynylpyrimidin-2-yl)sulfanylmethyl]silyl]oxy-dimethylsilyl]pentanoate;9H-fluoren-9-ylmethyl N-[3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]carbamate;hydride;hydrobromide |
|---|---|
| PubChem CID | 158272646 |
| Molecular Formula | C154H203BrCl4MgN18O13S7Si12 |
| Molecular Weight | 3321.95 g/mol |
| Exact Mass | 3314.88 |
| IUPAC Name | magnesium;chloro-dimethyl-[(5-prop-2-ynylpyrimidin-2-yl)sulfanylmethyl]silane;[5-(chloromethyl)pyrimidin-2-yl]sulfanylmethyl-[[5-(chloromethyl)pyrimidin-2-yl]sulfanylmethyl-dimethylsilyl]oxy-dimethylsilane;[dimethyl-[(5-prop-2-ynylpyrimidin-2-yl)sulfanylmethyl]silyl]oxy-dimethyl-[(5-prop-2-ynylpyrimidin-2-yl)sulfanylmethyl]silane;3-[[dimethyl-[(5-prop-2-ynylpyrimidin-2-yl)sulfanylmethyl]silyl]oxy-dimethylsilyl]propan-1-amine;ethyne;9H-fluoren-9-ylmethyl N-[3-[chloro(dimethyl)silyl]propyl]carbamate;9H-fluoren-9-ylmethyl 5-[[dimethyl-[(5-prop-2-ynylpyrimidin-2-yl)sulfanylmethyl]silyl]oxy-dimethylsilyl]pentanoate;9H-fluoren-9-ylmethyl N-[3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]carbamate;hydride;hydrobromide |
| SMILES | Br.C#CCc1cnc(SC[Si](C)(C)Cl)nc1.C#CCc1cnc(SC[Si](C)(C)O[Si](C)(C)CCCCC(=O)OCC2c3ccccc3-c3ccccc32)nc1.C#CCc1cnc(SC[Si](C)(C)O[Si](C)(C)CCCN)nc1.C#CCc1cnc(SC[Si](C)(C)O[Si](C)(C)CSc2ncc(CC#C)cn2)nc1.C[Si](C)(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)O[Si](C)(C)CCCNC(=O)OCC1c2ccccc2-c2ccccc21.C[Si](C)(CSc1ncc(CCl)cn1)O[Si](C)(C)CSc1ncc(CCl)cn1.C[Si](C)(Cl)CCCNC(=O)OCC1c2ccccc2-c2ccccc21.[C-]#C.[H-].[Mg+2] |
| InChI | InChI=1S/C40H48N2O5Si2.C31H38N2O3SSi2.C20H24ClNO2Si.C20H26N4OS2Si2.C16H24Cl2N4OS2Si2.C15H27N3OSSi2.C10H13ClN2SSi.C2H.BrH.Mg.H/c1-48(2,25-13-23-41-39(43)45-27-37-33-19-9-5-15-29(33)30-16-6-10-20-34(30)37)47-49(3,4)26-14-24-42-40(44)46-28-38-35-21-11-7-17-31(35)32-18-8-12-22-36(32)38;1-6-13-24-20-32-31(33-21-24)37-23-39(4,5)36-38(2,3)19-12-11-18-30(34)35-22-29-27-16-9-7-14-25(27)26-15-8-10-17-28(26)29;1-25(2,21)13-7-12-22-20(23)24-14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19;1-7-9-17-11-21-19(22-12-17)26-15-28(3,4)25-29(5,6)16-27-20-23-13-18(10-8-2)14-24-20;1-26(2,11-24-15-19-7-13(5-17)8-20-15)23-27(3,4)12-25-16-21-9-14(6-18)10-22-16;1-6-8-14-11-17-15(18-12-14)20-13-22(4,5)19-21(2,3)10-7-9-16;1-4-5-9-6-12-10(13-7-9)14-8-15(2,3)11;1-2;;;/h5-12,15-22,37-38H,13-14,23-28H2,1-4H3,(H,41,43)(H,42,44);1,7-10,14-17,20-21,29H,11-13,18-19,22-23H2,2-5H3;3-6,8-11,19H,7,12-14H2,1-2H3,(H,22,23);1-2,11-14H,9-10,15-16H2,3-6H3;7-10H,5-6,11-12H2,1-4H3;1,11-12H,7-10,13,16H2,2-5H3;1,6-7H,5,8H2,2-3H3;1H;1H;;/q;;;;;;;-1;;+2;-1 |
| InChIKey | AULATUUYASVJII-UHFFFAOYSA-N |
| XLogP | 37.31 |
| TPSA | 393.92 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 66 |
| Heavy Atoms | 210 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3321.95 |
| LogP ≤ 5 | 37.31 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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