C223H147N23 — CID 164950843
2,4-diphenyl-6-[2-(6-phenylpyridazin-3-yl)naphthalen-1-yl]-1,3,5-triazine;2-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;7-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]benzo[c]carbazole;2-[2-[4-(8-isocyano-9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 164950843) has the molecular formula C223H147N23 and a molecular weight of 3148.79 g/mol. Its IUPAC name is 2,4-diphenyl-6-[2-(6-phenylpyridazin-3-yl)naphthalen-1-yl]-1,3,5-triazine;2-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;7-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]benzo[c]carbazole;2-[2-[4-(8-isocyano-9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine.
| Compound Name | 2,4-diphenyl-6-[2-(6-phenylpyridazin-3-yl)naphthalen-1-yl]-1,3,5-triazine;2-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;7-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]benzo[c]carbazole;2-[2-[4-(8-isocyano-9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 164950843 |
| Molecular Formula | C223H147N23 |
| Molecular Weight | 3148.79 g/mol |
| Exact Mass | 3146.22 |
| IUPAC Name | 2,4-diphenyl-6-[2-(6-phenylpyridazin-3-yl)naphthalen-1-yl]-1,3,5-triazine;2-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;7-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]benzo[c]carbazole;2-[2-[4-(8-isocyano-9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine |
| SMILES | [C-]#[N+]c1cccc2c1C(C)(C)c1cc(-c3ccc(-c4ccc5ccccc5c4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc1-2.c1ccc(-c2cc(-c3ccc(-c4ccc5ccccc5c4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccccc5c4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)n2)cc1.c1ccc(-c2ccc(-c3ccc4ccccc4c3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)nn2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4)ccc4ccccc34)n2)cc1 |
| InChI | InChI=1S/2C47H31N5.C47H30N4.C47H32N4.C35H23N5/c1-5-16-34(17-6-1)41-31-42(49-44(48-41)36-18-7-2-8-19-36)35-27-25-33(26-28-35)40-30-29-32-15-13-14-24-39(32)43(40)47-51-45(37-20-9-3-10-21-37)50-46(52-47)38-22-11-4-12-23-38;1-5-16-34(17-6-1)41-31-42(35-18-7-2-8-19-35)49-44(48-41)38-27-25-33(26-28-38)40-30-29-32-15-13-14-24-39(32)43(40)47-51-45(36-20-9-3-10-21-36)50-46(52-47)37-22-11-4-12-23-37;1-3-15-34(16-4-1)45-48-46(35-17-5-2-6-18-35)50-47(49-45)44-38-20-10-8-13-31(38)25-29-39(44)33-23-27-36(28-24-33)51-41-22-12-11-21-40(41)43-37-19-9-7-14-32(37)26-30-42(43)51;1-47(2)40-29-35(26-28-38(40)39-19-12-20-41(48-3)43(39)47)30-21-23-32(24-22-30)37-27-25-31-13-10-11-18-36(31)42(37)46-50-44(33-14-6-4-7-15-33)49-45(51-46)34-16-8-5-9-17-34;1-4-13-25(14-5-1)30-22-23-31(40-39-30)29-21-20-24-12-10-11-19-28(24)32(29)35-37-33(26-15-6-2-7-16-26)36-34(38-35)27-17-8-3-9-18-27/h2*1-31H;1-30H;4-29H,1-2H3;1-23H |
| InChIKey | AMUQZBYWGJKBHO-UHFFFAOYSA-N |
| XLogP | 55.28 |
| TPSA | 279.98 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 246 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3148.79 |
| LogP ≤ 5 | 55.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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