C141H256N2Si2 — CID 162267968
N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2-methyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;molecular hydrogen (PubChem CID 162267968) has the molecular formula C141H256N2Si2 and a molecular weight of 2035.79 g/mol. Its IUPAC name is N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2-methyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;molecular hydrogen.
| Compound Name | N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2-methyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;molecular hydrogen |
|---|---|
| PubChem CID | 162267968 |
| Molecular Formula | C141H256N2Si2 |
| Molecular Weight | 2035.79 g/mol |
| Exact Mass | 2033.96 |
| IUPAC Name | N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2-methyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;molecular hydrogen |
| SMILES | C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC1(C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C)C2=CC3C(C=C2c2ccccc21)CC(C)C3[Si](C)(C)N(C(C)(C)C)C(C)(C)C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC1(C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C)C2=CC3C(C=C2c2ccccc21)CCC3[Si](C)(C)N(C(C)(C)C)C(C)(C)C.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H] |
| InChI | InChI=1S/C71H41NSi.C70H39NSi.88H2/c1-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-52-56-71(57-53-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-2)66-55-51-50-54-63(66)65-59-62-58-61(3)68(64(62)60-67(65)71)73(10,11)72(69(4,5)6)70(7,8)9;1-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-51-57-70(58-52-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-2)65-54-50-49-53-62(65)64-59-61-55-56-67(63(61)60-66(64)70)72(9,10)71(68(3,4)5)69(6,7)8;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-2,50-51,54-55,59-62,64,68H,58H2,3-11H3;1-2,49-50,53-54,59-61,63,67H,55-56H2,3-10H3;88*1H |
| InChIKey | AYPACSXSGNDXJT-UHFFFAOYSA-N |
| XLogP | 36.09 |
| TPSA | 6.48 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 145 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2035.79 |
| LogP ≤ 5 | 36.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |