C174H384N24O36Si36 — CID 158801630
1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[3-methyl-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[3-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[4-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[3-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea (PubChem CID 158801630) has the molecular formula C174H384N24O36Si36 and a molecular weight of 4400.21 g/mol. Its IUPAC name is 1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[3-methyl-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[3-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[4-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[3-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea.
| Compound Name | 1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[3-methyl-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[3-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[4-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[3-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea |
|---|---|
| PubChem CID | 158801630 |
| Molecular Formula | C174H384N24O36Si36 |
| Molecular Weight | 4400.21 g/mol |
| Exact Mass | 4394.06 |
| IUPAC Name | 1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[3-methyl-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[3-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[4-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[3-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea |
| SMILES | Cc1cc(NC(=O)NCC(C)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cc(NC(=O)NCC(C)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c1.Cc1cc(NC(=O)NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cc(NC(=O)NCC(C)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c1.Cc1cc(NC(=O)NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cc(NC(=O)NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c1.Cc1ccc(NC(=O)NCC(C)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cc1NC(=O)NCC(C)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.Cc1ccc(NC(=O)NCC(C)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cc1NC(=O)NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.Cc1ccc(NC(=O)NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cc1NC(=O)NCC(C)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C |
| InChI | InChI=1S/6C29H64N4O6Si6/c1-23-18-26(32-28(34)30-21-24(2)44(16,36-40(4,5)6)37-41(7,8)9)20-27(19-23)33-29(35)31-22-25(3)45(17,38-42(10,11)12)39-43(13,14)15;1-23-18-19-26(32-28(34)30-21-24(2)44(16,36-40(4,5)6)37-41(7,8)9)20-27(23)33-29(35)31-22-25(3)45(17,38-42(10,11)12)39-43(13,14)15;1-24-18-19-26(32-29(35)31-23-25(2)45(16,38-42(9,10)11)39-43(12,13)14)22-27(24)33-28(34)30-20-17-21-44(15,36-40(3,4)5)37-41(6,7)8;1-24-18-19-26(32-28(34)30-20-17-21-44(15,36-40(3,4)5)37-41(6,7)8)22-27(24)33-29(35)31-23-25(2)45(16,38-42(9,10)11)39-43(12,13)14;1-24-20-26(32-28(34)30-18-17-19-44(15,36-40(3,4)5)37-41(6,7)8)22-27(21-24)33-29(35)31-23-25(2)45(16,38-42(9,10)11)39-43(12,13)14;1-25-22-26(32-28(34)30-18-16-20-44(14,36-40(2,3)4)37-41(5,6)7)24-27(23-25)33-29(35)31-19-17-21-45(15,38-42(8,9)10)39-43(11,12)13/h2*18-20,24-25H,21-22H2,1-17H3,(H2,30,32,34)(H2,31,33,35);18-19,22,25H,17,20-21,23H2,1-16H3,(H2,30,33,34)(H2,31,32,35);18-19,22,25H,17,20-21,23H2,1-16H3,(H2,30,32,34)(H2,31,33,35);20-22,25H,17-19,23H2,1-16H3,(H2,30,32,34)(H2,31,33,35);22-24H,16-21H2,1-15H3,(H2,30,32,34)(H2,31,33,35) |
| InChIKey | ITOGHECUDCZSJJ-UHFFFAOYSA-N |
| XLogP | 51.41 |
| TPSA | 715.08 Ų |
| H-Bond Donors | 24 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 101 |
| Heavy Atoms | 270 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4400.21 |
| LogP ≤ 5 | 51.41 |
| H-Bond Donors ≤ 5 | 24 |
| H-Bond Acceptors ≤ 10 | 36 |