C151H86N12OS5 — CID 163623895
7-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[c]carbazole;7-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[c]carbazole;7-[4-(4-naphtho[2,1-b][1]benzofuran-5-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[c]carbazole (PubChem CID 163623895) has the molecular formula C151H86N12OS5 and a molecular weight of 2244.77 g/mol. Its IUPAC name is 7-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[c]carbazole;7-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[c]carbazole;7-[4-(4-naphtho[2,1-b][1]benzofuran-5-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[c]carbazole.
| Compound Name | 7-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[c]carbazole;7-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[c]carbazole;7-[4-(4-naphtho[2,1-b][1]benzofuran-5-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[c]carbazole |
|---|---|
| PubChem CID | 163623895 |
| Molecular Formula | C151H86N12OS5 |
| Molecular Weight | 2244.77 g/mol |
| Exact Mass | 2242.57 |
| IUPAC Name | 7-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[c]carbazole;7-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[c]carbazole;7-[4-(4-naphtho[2,1-b][1]benzofuran-5-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[c]carbazole |
| SMILES | c1ccc(-c2nc(-c3cc4oc5ccccc5c4c4ccccc34)nc(-c3cc(-n4c5ccccc5c5c6ccccc6ccc54)cc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cc(-n4c5ccccc5c5c6ccccc6ccc54)cc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-c3cc(-n4c5ccccc5c5c6ccccc6ccc54)cc4c3sc3ccccc34)n2)cc1 |
| InChI | InChI=1S/C53H30N4OS.2C49H28N4S2/c1-2-15-32(16-3-1)51-54-52(41-30-46-49(37-20-7-6-18-35(37)41)39-22-9-12-24-45(39)58-46)56-53(55-51)42-29-33(28-40-36-19-10-13-25-47(36)59-50(40)42)57-43-23-11-8-21-38(43)48-34-17-5-4-14-31(34)26-27-44(48)57;1-2-14-30(15-3-1)47-50-48(37-21-12-20-35-33-17-7-10-23-42(33)54-45(35)37)52-49(51-47)39-28-31(27-38-34-18-8-11-24-43(34)55-46(38)39)53-40-22-9-6-19-36(40)44-32-16-5-4-13-29(32)25-26-41(44)53;1-2-13-30(14-3-1)47-50-48(31-22-24-36-34-16-7-10-20-42(34)54-44(36)26-31)52-49(51-47)39-28-32(27-38-35-17-8-11-21-43(35)55-46(38)39)53-40-19-9-6-18-37(40)45-33-15-5-4-12-29(33)23-25-41(45)53/h1-30H;2*1-28H |
| InChIKey | HQLSEZPEPZDCQZ-UHFFFAOYSA-N |
| XLogP | 42.26 |
| TPSA | 143.94 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 169 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2244.77 |
| LogP ≤ 5 | 42.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |