C265H180N10 — CID 158766572
2-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;4-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;4-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine (PubChem CID 158766572) has the molecular formula C265H180N10 and a molecular weight of 3504.42 g/mol. Its IUPAC name is 2-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;4-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;4-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine.
| Compound Name | 2-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;4-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;4-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine |
|---|---|
| PubChem CID | 158766572 |
| Molecular Formula | C265H180N10 |
| Molecular Weight | 3504.42 g/mol |
| Exact Mass | 3501.44 |
| IUPAC Name | 2-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;4-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;4-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine |
| SMILES | c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c4)cc3)n2)cc1 |
| InChI | InChI=1S/5C53H36N2/c1-5-16-38(17-6-1)50-36-51(55-52(54-50)40-18-7-2-8-19-40)39-30-28-37(29-31-39)41-20-15-21-42(34-41)43-32-33-49-47(35-43)46-26-13-14-27-48(46)53(49,44-22-9-3-10-23-44)45-24-11-4-12-25-45;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)43-32-33-49-47(35-43)46-26-13-14-27-48(46)53(49,44-22-9-3-10-23-44)45-24-11-4-12-25-45;1-5-15-40(16-6-1)50-36-51(55-52(54-50)42-17-7-2-8-18-42)41-31-29-38(30-32-41)37-25-27-39(28-26-37)43-33-34-49-47(35-43)46-23-13-14-24-48(46)53(49,44-19-9-3-10-20-44)45-21-11-4-12-22-45;1-5-15-40(16-6-1)50-36-51(55-52(54-50)42-17-7-2-8-18-42)41-31-29-38(30-32-41)37-25-27-39(28-26-37)43-33-34-47-46-23-13-14-24-48(46)53(49(47)35-43,44-19-9-3-10-20-44)45-21-11-4-12-22-45;1-5-15-40(16-6-1)50-36-51(41-17-7-2-8-18-41)55-52(54-50)42-31-29-38(30-32-42)37-25-27-39(28-26-37)43-33-34-49-47(35-43)46-23-13-14-24-48(46)53(49,44-19-9-3-10-20-44)45-21-11-4-12-22-45/h5*1-36H |
| InChIKey | IPIJQBOYJWQBHQ-UHFFFAOYSA-N |
| XLogP | 65.87 |
| TPSA | 128.90 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 275 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3504.42 |
| LogP ≤ 5 | 65.87 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |