C156H102N18 — CID 165012434
2-[3-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 165012434) has the molecular formula C156H102N18 and a molecular weight of 2228.66 g/mol. Its IUPAC name is 2-[3-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
| Compound Name | 2-[3-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 165012434 |
| Molecular Formula | C156H102N18 |
| Molecular Weight | 2228.66 g/mol |
| Exact Mass | 2226.85 |
| IUPAC Name | 2-[3-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)cc5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5cccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)c45)cc3)n2)cc1 |
| InChI | InChI=1S/3C52H34N6/c1-5-15-38(16-6-1)47-53-48(39-17-7-2-8-18-39)56-51(55-47)42-31-27-35(28-32-42)44-25-13-23-37-24-14-26-45(46(37)44)36-29-33-43(34-30-36)52-57-49(40-19-9-3-10-20-40)54-50(58-52)41-21-11-4-12-22-41;1-5-15-37(16-6-1)47-53-48(38-17-7-2-8-18-38)56-51(55-47)41-29-25-35(26-30-41)43-33-34-44(46-24-14-13-23-45(43)46)36-27-31-42(32-28-36)52-57-49(39-19-9-3-10-20-39)54-50(58-52)40-21-11-4-12-22-40;1-5-14-37(15-6-1)47-53-48(38-16-7-2-8-17-38)56-51(55-47)41-28-24-35(25-29-41)43-30-26-36-27-31-44(34-46(36)33-43)42-22-13-23-45(32-42)52-57-49(39-18-9-3-10-19-39)54-50(58-52)40-20-11-4-12-21-40/h3*1-34H |
| InChIKey | JXFPWUCBFUDROV-UHFFFAOYSA-N |
| XLogP | 37.64 |
| TPSA | 232.02 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 174 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2228.66 |
| LogP ≤ 5 | 37.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |