C186H125N9 — CID 159302076
2,4-diphenyl-6-[3-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 159302076) has the molecular formula C186H125N9 and a molecular weight of 2486.11 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazine.
| Compound Name | 2,4-diphenyl-6-[3-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 159302076 |
| Molecular Formula | C186H125N9 |
| Molecular Weight | 2486.11 g/mol |
| Exact Mass | 2484.01 |
| IUPAC Name | 2,4-diphenyl-6-[3-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cc7c(cc6-c6ccccc6)-c6ccccc6C7(c6ccccc6)c6ccccc6)c5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cc7c(cc6-c6ccccc6)-c6ccccc6C7(c6ccccc6)c6ccccc6)c5)c4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cc6c(cc5-c5ccccc5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c4)c3)n2)cc1 |
| InChI | InChI=1S/2C64H43N3.C58H39N3/c1-6-21-44(22-7-1)47-27-19-31-51(40-47)62-65-61(46-25-10-3-11-26-46)66-63(67-62)52-32-20-29-49(41-52)48-28-18-30-50(39-48)57-43-60-58(42-56(57)45-23-8-2-9-24-45)55-37-16-17-38-59(55)64(60,53-33-12-4-13-34-53)54-35-14-5-15-36-54;1-6-20-44(21-7-1)45-36-38-48(39-37-45)62-65-61(47-24-10-3-11-25-47)66-63(67-62)52-29-19-27-50(41-52)49-26-18-28-51(40-49)57-43-60-58(42-56(57)46-22-8-2-9-23-46)55-34-16-17-35-59(55)64(60,53-30-12-4-13-31-53)54-32-14-5-15-33-54;1-6-20-40(21-7-1)50-38-52-49-34-16-17-35-53(49)58(47-30-12-4-13-31-47,48-32-14-5-15-33-48)54(52)39-51(50)45-28-18-26-43(36-45)44-27-19-29-46(37-44)57-60-55(41-22-8-2-9-23-41)59-56(61-57)42-24-10-3-11-25-42/h2*1-43H;1-39H |
| InChIKey | LBLPMEPDPKITBW-UHFFFAOYSA-N |
| XLogP | 46.04 |
| TPSA | 116.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 195 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2486.11 |
| LogP ≤ 5 | 46.04 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |