C231H163F5N6O3 — CID 161032585
N-[4-[6,9-bis(4-ethenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-9-phenylfluoren-2-amine;N-[4-[9-[3,5-bis(4-ethenylphenyl)phenyl]carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenylfluoren-2-amine;N-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine (PubChem CID 161032585) has the molecular formula C231H163F5N6O3 and a molecular weight of 3170.90 g/mol. Its IUPAC name is N-[4-[6,9-bis(4-ethenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-9-phenylfluoren-2-amine;N-[4-[9-[3,5-bis(4-ethenylphenyl)phenyl]carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenylfluoren-2-amine;N-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine.
| Compound Name | N-[4-[6,9-bis(4-ethenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-9-phenylfluoren-2-amine;N-[4-[9-[3,5-bis(4-ethenylphenyl)phenyl]carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenylfluoren-2-amine;N-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine |
|---|---|
| PubChem CID | 161032585 |
| Molecular Formula | C231H163F5N6O3 |
| Molecular Weight | 3170.90 g/mol |
| Exact Mass | 3168.30 |
| IUPAC Name | N-[4-[6,9-bis(4-ethenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-9-phenylfluoren-2-amine;N-[4-[9-[3,5-bis(4-ethenylphenyl)phenyl]carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenylfluoren-2-amine;N-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine |
| SMILES | C=Cc1ccc(Oc2ccc(C3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(-c6ccc7c(c6)c6cc(-c8ccc(C=C)cc8)ccc6n7-c6ccc(C=C)cc6)cc5)c5ccccc5-c5c(F)c(F)c(F)c(F)c5F)cc43)cc2)cc1.C=Cc1ccc(Oc2ccc(C3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)c5ccc(C(C)(C)C)cc5)cc43)cc2)cc1.[2H]c1c([2H])c([2H])c(-c2ccccc2N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4ccc(C=C)cc4)cc(-c4ccc(C=C)cc4)c3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccc(Oc4ccc(C=C)cc4)cc2)c2ccccc2-3)c([2H])c1[2H] |
| InChI | InChI=1S/C85H60N2O.C79H51F5N2O.C67H52N2O/c1-4-58-29-35-62(36-30-58)66-53-67(63-37-31-59(5-2)32-38-63)55-72(54-66)87-83-28-18-15-25-78(83)79-56-65(41-52-84(79)87)61-39-44-70(45-40-61)86(82-27-17-14-23-75(82)64-19-9-7-10-20-64)71-46-51-77-76-24-13-16-26-80(76)85(81(77)57-71,68-21-11-8-12-22-68)69-42-49-74(50-43-69)88-73-47-33-60(6-3)34-48-73;1-4-49-20-26-52(27-21-49)54-30-44-71-66(46-54)67-47-55(31-45-72(67)86(71)59-34-22-50(5-2)23-35-59)53-28-36-58(37-29-53)85(70-19-13-11-17-65(70)73-74(80)76(82)78(84)77(83)75(73)81)60-38-43-64-63-16-10-12-18-68(63)79(69(64)48-60,56-14-8-7-9-15-56)57-32-41-62(42-33-57)87-61-39-24-51(6-3)25-40-61;1-5-46-24-38-56(39-25-46)70-57-40-31-51(32-41-57)67(50-16-8-6-9-17-50)62-22-14-12-20-58(62)59-42-37-55(45-63(59)67)68(54-35-29-49(30-36-54)66(2,3)4)53-33-26-47(27-34-53)48-28-43-65-61(44-48)60-21-13-15-23-64(60)69(65)52-18-10-7-11-19-52/h4-57H,1-3H2;4-48H,1-3H2;5-45H,1H2,2-4H3/i7D,9D,10D,19D,20D;; |
| InChIKey | TZUXUUMZIRIPMV-IHSGUJQCSA-N |
| XLogP | 63.06 |
| TPSA | 52.20 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 245 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3170.90 |
| LogP ≤ 5 | 63.06 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
| Structural Alerts | {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'} |
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