C150H90N12O3S2 — CID 167656369
9-[6-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole;9-[6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole;9-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]carbazole (PubChem CID 167656369) has the molecular formula C150H90N12O3S2 and a molecular weight of 2172.58 g/mol. Its IUPAC name is 9-[6-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole;9-[6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole;9-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]carbazole.
| Compound Name | 9-[6-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole;9-[6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole;9-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]carbazole |
|---|---|
| PubChem CID | 167656369 |
| Molecular Formula | C150H90N12O3S2 |
| Molecular Weight | 2172.58 g/mol |
| Exact Mass | 2170.67 |
| IUPAC Name | 9-[6-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole;9-[6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole;9-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]carbazole |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc5ccccc5c5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c45)n3)cc21.c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cc4ccccc4c4oc5cc(-n6c7ccccc7c7ccccc76)ccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-c3cc4ccccc4c4oc5cc(-n6c7ccccc7c7ccccc76)ccc5c34)n2)cc1 |
| InChI | InChI=1S/C52H34N4O.2C49H28N4OS/c1-52(2)42-21-11-8-18-36(42)37-26-24-33(29-43(37)52)50-53-49(31-14-4-3-5-15-31)54-51(55-50)41-28-32-16-6-7-17-35(32)48-47(41)40-30-34(25-27-46(40)57-48)56-44-22-12-9-19-38(44)39-20-10-13-23-45(39)56;1-2-13-29(14-3-1)47-50-48(37-20-12-24-43-44(37)36-19-8-11-23-42(36)55-43)52-49(51-47)38-27-30-15-4-5-16-32(30)46-45(38)35-26-25-31(28-41(35)54-46)53-39-21-9-6-17-33(39)34-18-7-10-22-40(34)53;1-2-12-29(13-3-1)47-50-48(31-22-24-37-36-18-8-11-21-43(36)55-44(37)27-31)52-49(51-47)39-26-30-14-4-5-15-33(30)46-45(39)38-25-23-32(28-42(38)54-46)53-40-19-9-6-16-34(40)35-17-7-10-20-41(35)53/h3-30H,1-2H3;2*1-28H |
| InChIKey | RHXCQOYKWAULNG-UHFFFAOYSA-N |
| XLogP | 40.11 |
| TPSA | 170.22 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 167 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2172.58 |
| LogP ≤ 5 | 40.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |