C271H244 — CID 160707659
2,7-bis[7-(9,9-diethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene (PubChem CID 160707659) has the molecular formula C271H244 and a molecular weight of 3500.93 g/mol. Its IUPAC name is 2,7-bis[7-(9,9-diethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene.
| Compound Name | 2,7-bis[7-(9,9-diethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene |
|---|---|
| PubChem CID | 160707659 |
| Molecular Formula | C271H244 |
| Molecular Weight | 3500.93 g/mol |
| Exact Mass | 3497.91 |
| IUPAC Name | 2,7-bis[7-(9,9-diethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene |
| SMILES | CCC1(CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccc%10c(c9)C(CC)(CC)c9ccccc9-%10)ccc7-8)ccc5-6)ccc3-4)cc21.CCC1(CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5-6)ccc3-4)cc21.CCC1(CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CC)(CC)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5-6)ccc3-4)cc21.CCC1(CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CC)(CC)c3cc(-c5ccc6c(c5)C(CC)(CC)c5cc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5-6)ccc3-4)cc21 |
| InChI | InChI=1S/C79H70.C66H62.C64H58.C62H54/c1-11-78(12-2)65-21-17-15-19-55(65)63-37-29-53(45-73(63)78)51-27-35-61-59-33-25-49(41-69(59)76(7,8)71(61)43-51)47-23-31-57-58-32-24-48(40-68(58)75(5,6)67(57)39-47)50-26-34-60-62-36-28-52(44-72(62)77(9,10)70(60)42-50)54-30-38-64-56-20-16-18-22-66(56)79(13-3,14-4)74(64)46-54;1-9-64(10-2)56-22-18-16-20-48(56)50-30-24-43(36-58(50)64)44-26-32-53-54-34-28-46(40-62(54)66(13-5,14-6)60(53)38-44)45-27-33-52-51-31-25-42(37-59(51)65(11-3,12-4)61(52)39-45)41-23-29-49-47-19-15-17-21-55(47)63(7,8)57(49)35-41;1-9-63(10-2)54-20-16-14-18-46(54)50-30-24-43(36-58(50)63)44-26-32-52-51-31-25-42(37-59(51)64(11-3,12-4)60(52)38-44)41-23-29-49-48-28-22-40(34-56(48)62(7,8)57(49)35-41)39-21-27-47-45-17-13-15-19-53(45)61(5,6)55(47)33-39;1-9-62(10-2)52-18-14-12-16-44(52)50-30-24-42(36-58(50)62)41-23-29-49-48-28-22-40(34-56(48)61(7,8)57(49)35-41)39-21-27-47-46-26-20-38(32-54(46)60(5,6)55(47)33-39)37-19-25-45-43-15-11-13-17-51(43)59(3,4)53(45)31-37/h15-46H,11-14H2,1-10H3;15-40H,9-14H2,1-8H3;13-38H,9-12H2,1-8H3;11-36H,9-10H2,1-8H3 |
| InChIKey | RRKZXDZJMQZWGH-UHFFFAOYSA-N |
| XLogP | 73.87 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 29 |
| Heavy Atoms | 271 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3500.93 |
| LogP ≤ 5 | 73.87 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |