C231H153N25 — CID 163499320
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;bis(2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine);2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 163499320) has the molecular formula C231H153N25 and a molecular weight of 3278.94 g/mol. Its IUPAC name is 2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;bis(2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine);2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
| Compound Name | 2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;bis(2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine);2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 163499320 |
| Molecular Formula | C231H153N25 |
| Molecular Weight | 3278.94 g/mol |
| Exact Mass | 3276.27 |
| IUPAC Name | 2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;bis(2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine);2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine |
| SMILES | c1ccc(-c2cc(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc7ccccc67)n5)c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)cc(-c3ccc4ccccc4c3)n2)cc1 |
| InChI | InChI=1S/4C47H31N5.C43H29N5/c1-4-15-34(16-5-1)42-31-43(49-44(48-42)36-17-6-2-7-18-36)35-28-26-32(27-29-35)38-22-12-23-39(30-38)46-50-45(37-19-8-3-9-20-37)51-47(52-46)41-25-13-21-33-14-10-11-24-40(33)41;1-4-14-35(15-5-1)44-48-42(31-43(49-44)40-28-25-32-13-10-11-20-38(32)29-40)34-26-23-33(24-27-34)39-21-12-22-41(30-39)47-51-45(36-16-6-2-7-17-36)50-46(52-47)37-18-8-3-9-19-37;2*1-4-14-34(15-5-1)42-31-43(49-44(48-42)36-16-6-2-7-17-36)35-26-23-33(24-27-35)39-21-12-22-40(29-39)46-50-45(37-18-8-3-9-19-37)51-47(52-46)41-28-25-32-13-10-11-20-38(32)30-41;1-5-14-31(15-6-1)38-29-39(45-40(44-38)33-16-7-2-8-17-33)32-26-24-30(25-27-32)36-22-13-23-37(28-36)43-47-41(34-18-9-3-10-19-34)46-42(48-43)35-20-11-4-12-21-35/h4*1-31H;1-29H |
| InChIKey | CTJIYEQVPYCJGN-UHFFFAOYSA-N |
| XLogP | 56.27 |
| TPSA | 322.25 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 256 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3278.94 |
| LogP ≤ 5 | 56.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |