C178H271Cl4N37O31S7Si12 — CID 159293980
2-[2-(2-azidoethoxy)ethoxy]ethanol;[5-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]pyrimidin-2-yl]sulfanylmethyl-[[5-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]pyrimidin-2-yl]sulfanylmethyl-dimethylsilyl]oxy-dimethylsilane;[5-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]pyrimidin-2-yl]sulfanylmethyl-chloro-dimethylsilane;3-[[[5-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]pyrimidin-2-yl]sulfanylmethyl-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine;[5-(chloromethyl)pyrimidin-2-yl]sulfanylmethyl-[[5-(chloromethyl)pyrimidin-2-yl]sulfanylmethyl-dimethylsilyl]oxy-dimethylsilane;9H-fluoren-9-ylmethyl N-[3-[[[5-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]pyrimidin-2-yl]sulfanylmethyl-dimethylsilyl]oxy-dimethylsilyl]propyl]carbamate;9H-fluoren-9-ylmethyl N-[3-[chloro(dimethyl)silyl]propyl]carbamate;9H-fluoren-9-ylmethyl N-[3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]carbamate;methane (PubChem CID 159293980) has the molecular formula C178H271Cl4N37O31S7Si12 and a molecular weight of 4128.67 g/mol. Its IUPAC name is 2-[2-(2-azidoethoxy)ethoxy]ethanol;[5-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]pyrimidin-2-yl]sulfanylmethyl-[[5-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]pyrimidin-2-yl]sulfanylmethyl-dimethylsilyl]oxy-dimethylsilane;[5-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]pyrimidin-2-yl]sulfanylmethyl-chloro-dimethylsilane;3-[[[5-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]pyrimidin-2-yl]sulfanylmethyl-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine;[5-(chloromethyl)pyrimidin-2-yl]sulfanylmethyl-[[5-(chloromethyl)pyrimidin-2-yl]sulfanylmethyl-dimethylsilyl]oxy-dimethylsilane;9H-fluoren-9-ylmethyl N-[3-[[[5-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]pyrimidin-2-yl]sulfanylmethyl-dimethylsilyl]oxy-dimethylsilyl]propyl]carbamate;9H-fluoren-9-ylmethyl N-[3-[chloro(dimethyl)silyl]propyl]carbamate;9H-fluoren-9-ylmethyl N-[3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]carbamate;methane.
| Compound Name | 2-[2-(2-azidoethoxy)ethoxy]ethanol;[5-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]pyrimidin-2-yl]sulfanylmethyl-[[5-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]pyrimidin-2-yl]sulfanylmethyl-dimethylsilyl]oxy-dimethylsilane;[5-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]pyrimidin-2-yl]sulfanylmethyl-chloro-dimethylsilane;3-[[[5-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]pyrimidin-2-yl]sulfanylmethyl-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine;[5-(chloromethyl)pyrimidin-2-yl]sulfanylmethyl-[[5-(chloromethyl)pyrimidin-2-yl]sulfanylmethyl-dimethylsilyl]oxy-dimethylsilane;9H-fluoren-9-ylmethyl N-[3-[[[5-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]pyrimidin-2-yl]sulfanylmethyl-dimethylsilyl]oxy-dimethylsilyl]propyl]carbamate;9H-fluoren-9-ylmethyl N-[3-[chloro(dimethyl)silyl]propyl]carbamate;9H-fluoren-9-ylmethyl N-[3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]carbamate;methane |
|---|---|
| PubChem CID | 159293980 |
| Molecular Formula | C178H271Cl4N37O31S7Si12 |
| Molecular Weight | 4128.67 g/mol |
| Exact Mass | 4122.48 |
| IUPAC Name | 2-[2-(2-azidoethoxy)ethoxy]ethanol;[5-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]pyrimidin-2-yl]sulfanylmethyl-[[5-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]pyrimidin-2-yl]sulfanylmethyl-dimethylsilyl]oxy-dimethylsilane;[5-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]pyrimidin-2-yl]sulfanylmethyl-chloro-dimethylsilane;3-[[[5-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]pyrimidin-2-yl]sulfanylmethyl-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine;[5-(chloromethyl)pyrimidin-2-yl]sulfanylmethyl-[[5-(chloromethyl)pyrimidin-2-yl]sulfanylmethyl-dimethylsilyl]oxy-dimethylsilane;9H-fluoren-9-ylmethyl N-[3-[[[5-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]pyrimidin-2-yl]sulfanylmethyl-dimethylsilyl]oxy-dimethylsilyl]propyl]carbamate;9H-fluoren-9-ylmethyl N-[3-[chloro(dimethyl)silyl]propyl]carbamate;9H-fluoren-9-ylmethyl N-[3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]carbamate;methane |
| SMILES | C.C[Si](C)(CCCN)O[Si](C)(C)CSc1ncc(COCCOCCOCCN=[N+]=[N-])cn1.C[Si](C)(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)O[Si](C)(C)CCCNC(=O)OCC1c2ccccc2-c2ccccc21.C[Si](C)(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)O[Si](C)(C)CSc1ncc(COCCOCCOCCN=[N+]=[N-])cn1.C[Si](C)(CSc1ncc(CCl)cn1)O[Si](C)(C)CSc1ncc(CCl)cn1.C[Si](C)(CSc1ncc(COCCOCCOCCN=[N+]=[N-])cn1)O[Si](C)(C)CSc1ncc(COCCOCCOCCN=[N+]=[N-])cn1.C[Si](C)(Cl)CCCNC(=O)OCC1c2ccccc2-c2ccccc21.C[Si](C)(Cl)CSc1ncc(COCCOCCOCCN=[N+]=[N-])cn1.[N-]=[N+]=NCCOCCOCCO |
| InChI | InChI=1S/C40H48N2O5Si2.C34H48N6O6SSi2.C28H48N10O7S2Si2.C20H24ClNO2Si.C19H38N6O4SSi2.C16H24Cl2N4OS2Si2.C14H24ClN5O3SSi.C6H13N3O3.CH4/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;1-48(2,21-9-14-36-34(41)45-25-32-30-12-7-5-10-28(30)29-11-6-8-13-31(29)32)46-49(3,4)26-47-33-37-22-27(23-38-33)24-44-20-19-43-18-17-42-16-15-39-40-35;1-48(2,23-46-27-31-17-25(18-32-27)21-43-15-13-41-11-9-39-7-5-35-37-29)45-49(3,4)24-47-28-33-19-26(20-34-28)22-44-16-14-42-12-10-40-8-6-36-38-30;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;1-31(2,13-5-6-20)29-32(3,4)17-30-19-22-14-18(15-23-19)16-28-12-11-27-10-9-26-8-7-24-25-21;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;1-25(2,15)12-24-14-17-9-13(10-18-14)11-23-8-7-22-6-5-21-4-3-19-20-16;7-9-8-1-3-11-5-6-12-4-2-10;/h5-12,15-22,37-38H,13-14,23-28H2,1-4H3,(H,41,43)(H,42,44);5-8,10-13,22-23,32H,9,14-21,24-26H2,1-4H3,(H,36,41);17-20H,5-16,21-24H2,1-4H3;3-6,8-11,19H,7,12-14H2,1-2H3,(H,22,23);14-15H,5-13,16-17,20H2,1-4H3;7-10H,5-6,11-12H2,1-4H3;9-10H,3-8,11-12H2,1-2H3;10H,1-6H2;1H4 |
| InChIKey | LAMDXQWKTYYEAD-UHFFFAOYSA-N |
| XLogP | 40.58 |
| TPSA | 875.65 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 59 |
| Rotatable Bonds | 123 |
| Heavy Atoms | 269 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4128.67 |
| LogP ≤ 5 | 40.58 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 59 |
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'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': 'Azido_group', 'substructure': 'N/A'} |
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