C291H199N9 — CID 158876889
N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]isoquinolin-4-amine;N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine;N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9,9-triphenylfluoren-3-amine (PubChem CID 158876889) has the molecular formula C291H199N9 and a molecular weight of 3821.86 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]isoquinolin-4-amine;N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine;N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9,9-triphenylfluoren-3-amine.
| Compound Name | N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]isoquinolin-4-amine;N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine;N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9,9-triphenylfluoren-3-amine |
|---|---|
| PubChem CID | 158876889 |
| Molecular Formula | C291H199N9 |
| Molecular Weight | 3821.86 g/mol |
| Exact Mass | 3818.58 |
| IUPAC Name | N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]isoquinolin-4-amine;N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine;N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9,9-triphenylfluoren-3-amine |
| SMILES | CC1(C)c2ccccc2-c2cc(N(c3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)c3)c3cncc4ccccc34)ccc21.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5cccc(-c6cccc(N(c7ccccc7)c7ccc8c(c7)-c7ccccc7C8(c7ccccc7)c7ccccc7)c6)c5)ccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5cccc(-c6cccc(N(c7ccccc7)c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7ccccc7-8)c6)c5)ccc43)c2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1 |
| InChI | InChI=1S/C79H52N2.2C73H50N2.C66H47N3/c1-4-20-53(21-5-1)56-38-41-63(42-39-56)80(65-43-44-70-69-32-12-16-36-75(69)79(76(70)52-65)73-34-14-10-30-67(73)68-31-11-15-35-74(68)79)64-29-19-28-59(48-64)57-26-18-27-58(46-57)60-40-45-78-72(51-60)71-33-13-17-37-77(71)81(78)66-49-61(54-22-6-2-7-23-54)47-62(50-66)55-24-8-3-9-25-55;1-6-22-51(23-7-1)57-45-58(52-24-8-2-9-25-52)48-64(47-57)75-71-39-19-17-37-67(71)68-49-56(40-43-72(68)75)54-27-20-26-53(44-54)55-28-21-35-62(46-55)74(61-33-14-5-15-34-61)63-41-42-66-65-36-16-18-38-69(65)73(70(66)50-63,59-29-10-3-11-30-59)60-31-12-4-13-32-60;1-6-22-51(23-7-1)57-45-58(52-24-8-2-9-25-52)48-64(47-57)75-71-39-19-17-37-66(71)68-49-56(40-43-72(68)75)54-27-20-26-53(44-54)55-28-21-35-62(46-55)74(61-33-14-5-15-34-61)63-41-42-70-67(50-63)65-36-16-18-38-69(65)73(70,59-29-10-3-11-30-59)60-31-12-4-13-32-60;1-66(2)61-29-13-11-27-57(61)59-41-54(32-33-62(59)66)68(65-43-67-42-50-21-9-10-26-56(50)65)53-25-16-24-48(37-53)46-22-15-23-47(35-46)49-31-34-64-60(40-49)58-28-12-14-30-63(58)69(64)55-38-51(44-17-5-3-6-18-44)36-52(39-55)45-19-7-4-8-20-45/h1-52H;2*1-50H;3-43H,1-2H3 |
| InChIKey | JCNXJSNZOMVKJD-UHFFFAOYSA-N |
| XLogP | 77.28 |
| TPSA | 45.57 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 300 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3821.86 |
| LogP ≤ 5 | 77.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |