C235H220N6O9Si — CID 161181481
9-[6-(4-ethenylphenoxy)-2,5-dimethylhexyl]-N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-N,9-diphenylfluoren-2-amine;9-[3-[2-(4-ethenylphenoxy)ethyl-dimethylsilyl]propyl]-N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-N,9-diphenylfluoren-2-amine;N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-9-[6-(4-ethenylphenoxy)-5-methylhexyl]-N,9-diphenylfluoren-2-amine (PubChem CID 161181481) has the molecular formula C235H220N6O9Si and a molecular weight of 3300.46 g/mol. Its IUPAC name is 9-[6-(4-ethenylphenoxy)-2,5-dimethylhexyl]-N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-N,9-diphenylfluoren-2-amine;9-[3-[2-(4-ethenylphenoxy)ethyl-dimethylsilyl]propyl]-N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-N,9-diphenylfluoren-2-amine;N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-9-[6-(4-ethenylphenoxy)-5-methylhexyl]-N,9-diphenylfluoren-2-amine.
| Compound Name | 9-[6-(4-ethenylphenoxy)-2,5-dimethylhexyl]-N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-N,9-diphenylfluoren-2-amine;9-[3-[2-(4-ethenylphenoxy)ethyl-dimethylsilyl]propyl]-N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-N,9-diphenylfluoren-2-amine;N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-9-[6-(4-ethenylphenoxy)-5-methylhexyl]-N,9-diphenylfluoren-2-amine |
|---|---|
| PubChem CID | 161181481 |
| Molecular Formula | C235H220N6O9Si |
| Molecular Weight | 3300.46 g/mol |
| Exact Mass | 3297.67 |
| IUPAC Name | 9-[6-(4-ethenylphenoxy)-2,5-dimethylhexyl]-N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-N,9-diphenylfluoren-2-amine;9-[3-[2-(4-ethenylphenoxy)ethyl-dimethylsilyl]propyl]-N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-N,9-diphenylfluoren-2-amine;N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-9-[6-(4-ethenylphenoxy)-5-methylhexyl]-N,9-diphenylfluoren-2-amine |
| SMILES | C=Cc1ccc(OCCCCCCOc2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(CC(C)CCC(C)COc5ccc(C=C)cc5)(c5ccccc5)c5ccccc5-6)cc4)ccc2n3-c2ccccc2)cc1.C=Cc1ccc(OCCCCCCOc2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(CCCCC(C)COc5ccc(C=C)cc5)(c5ccccc5)c5ccccc5-6)cc4)ccc2n3-c2ccccc2)cc1.C=Cc1ccc(OCCCCCCOc2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(CCC[Si](C)(C)CCOc5ccc(C=C)cc5)(c5ccccc5)c5ccccc5-6)cc4)ccc2n3-c2ccccc2)cc1 |
| InChI | InChI=1S/C79H74N2O3.C78H74N2O3Si.C78H72N2O3/c1-5-59-32-42-68(43-33-59)82-50-20-7-8-21-51-83-70-46-49-78-74(54-70)73-52-62(38-48-77(73)81(78)65-26-16-11-17-27-65)61-36-39-66(40-37-61)80(64-24-14-10-15-25-64)67-41-47-72-71-28-18-19-29-75(71)79(76(72)53-67,63-22-12-9-13-23-63)55-57(3)30-31-58(4)56-84-69-44-34-60(6-2)35-45-69;1-5-58-31-41-67(42-32-58)81-50-20-7-8-21-51-82-69-45-48-77-73(57-69)72-55-61(37-47-76(72)80(77)64-27-16-11-17-28-64)60-35-38-65(39-36-60)79(63-25-14-10-15-26-63)66-40-46-71-70-29-18-19-30-74(70)78(75(71)56-66,62-23-12-9-13-24-62)49-22-53-84(3,4)54-52-83-68-43-33-59(6-2)34-44-68;1-4-58-32-42-67(43-33-58)81-51-21-6-7-22-52-82-69-46-49-77-73(55-69)72-53-61(38-48-76(72)80(77)64-28-15-10-16-29-64)60-36-39-65(40-37-60)79(63-26-13-9-14-27-63)66-41-47-71-70-30-17-18-31-74(70)78(75(71)54-66,62-24-11-8-12-25-62)50-20-19-23-57(3)56-83-68-44-34-59(5-2)35-45-68/h5-6,9-19,22-29,32-49,52-54,57-58H,1-2,7-8,20-21,30-31,50-51,55-56H2,3-4H3;5-6,9-19,23-48,55-57H,1-2,7-8,20-22,49-54H2,3-4H3;4-5,8-18,24-49,53-55,57H,1-2,6-7,19-23,50-52,56H2,3H3 |
| InChIKey | USNCSAGRWADQHE-UHFFFAOYSA-N |
| XLogP | 62.98 |
| TPSA | 107.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 75 |
| Heavy Atoms | 251 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3300.46 |
| LogP ≤ 5 | 62.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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