C253H172N10 — CID 157413794
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine (PubChem CID 157413794) has the molecular formula C253H172N10 and a molecular weight of 3352.23 g/mol. Its IUPAC name is 2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine.
| Compound Name | 2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine |
|---|---|
| PubChem CID | 157413794 |
| Molecular Formula | C253H172N10 |
| Molecular Weight | 3352.23 g/mol |
| Exact Mass | 3349.38 |
| IUPAC Name | 2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine |
| SMILES | c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4)c3)n2)cc1 |
| InChI | InChI=1S/3C53H36N2.2C47H32N2/c1-5-17-37(18-6-1)50-36-51(55-52(54-50)38-19-7-2-8-20-38)43-24-16-23-41(34-43)39-21-15-22-40(33-39)42-31-32-47-46-29-13-14-30-48(46)53(49(47)35-42,44-25-9-3-10-26-44)45-27-11-4-12-28-45;1-5-17-37(18-6-1)50-36-51(38-19-7-2-8-20-38)55-52(54-50)43-24-16-23-41(34-43)39-21-15-22-40(33-39)42-31-32-47-46-29-13-14-30-48(46)53(49(47)35-42,44-25-9-3-10-26-44)45-27-11-4-12-28-45;1-5-16-38(17-6-1)50-36-51(39-18-7-2-8-19-39)55-52(54-50)40-30-28-37(29-31-40)41-20-15-21-42(34-41)43-32-33-47-46-26-13-14-27-48(46)53(49(47)35-43,44-22-9-3-10-23-44)45-24-11-4-12-25-45;1-5-15-34(16-6-1)44-32-45(49-46(48-44)36-17-7-2-8-18-36)35-27-25-33(26-28-35)37-29-30-41-40-23-13-14-24-42(40)47(43(41)31-37,38-19-9-3-10-20-38)39-21-11-4-12-22-39;1-5-15-34(16-6-1)44-32-45(35-17-7-2-8-18-35)49-46(48-44)36-27-25-33(26-28-36)37-29-30-41-40-23-13-14-24-42(40)47(43(41)31-37,38-19-9-3-10-20-38)39-21-11-4-12-22-39/h3*1-36H;2*1-32H |
| InChIKey | BOPGEYRGBJXDDC-UHFFFAOYSA-N |
| XLogP | 62.54 |
| TPSA | 128.90 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 263 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3352.23 |
| LogP ≤ 5 | 62.54 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |