C232H157N13 — CID 159851053
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 159851053) has the molecular formula C232H157N13 and a molecular weight of 3126.90 g/mol. Its IUPAC name is 2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.
| Compound Name | 2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 159851053 |
| Molecular Formula | C232H157N13 |
| Molecular Weight | 3126.90 g/mol |
| Exact Mass | 3124.27 |
| IUPAC Name | 2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine |
| SMILES | c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)n2)cc1 |
| InChI | InChI=1S/2C47H32N2.3C46H31N3/c1-5-16-33(17-6-1)44-32-45(49-46(48-44)34-18-7-2-8-19-34)37-21-15-20-35(30-37)36-28-29-41-40-26-13-14-27-42(40)47(43(41)31-36,38-22-9-3-10-23-38)39-24-11-4-12-25-39;1-5-16-33(17-6-1)44-32-45(34-18-7-2-8-19-34)49-46(48-44)37-21-15-20-35(30-37)36-28-29-41-40-26-13-14-27-42(40)47(43(41)31-36,38-22-9-3-10-23-38)39-24-11-4-12-25-39;1-5-16-32(17-6-1)43-47-44(33-18-7-2-8-19-33)49-45(48-43)36-21-15-20-34(30-36)35-28-29-42-40(31-35)39-26-13-14-27-41(39)46(42,37-22-9-3-10-23-37)38-24-11-4-12-25-38;1-5-15-33(16-6-1)43-47-44(34-17-7-2-8-18-34)49-45(48-43)35-27-25-32(26-28-35)36-29-30-42-40(31-36)39-23-13-14-24-41(39)46(42,37-19-9-3-10-20-37)38-21-11-4-12-22-38;1-5-15-33(16-6-1)43-47-44(34-17-7-2-8-18-34)49-45(48-43)35-27-25-32(26-28-35)36-29-30-40-39-23-13-14-24-41(39)46(42(40)31-36,37-19-9-3-10-20-37)38-21-11-4-12-22-38/h2*1-32H;3*1-31H |
| InChIKey | NPYAITAPSOAMSU-UHFFFAOYSA-N |
| XLogP | 55.72 |
| TPSA | 167.57 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 245 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3126.90 |
| LogP ≤ 5 | 55.72 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |