C149H86N12O4S — CID 165075451
9-[5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;9-[5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;9-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole (PubChem CID 165075451) has the molecular formula C149H86N12O4S and a molecular weight of 2140.47 g/mol. Its IUPAC name is 9-[5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;9-[5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;9-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole.
| Compound Name | 9-[5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;9-[5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;9-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole |
|---|---|
| PubChem CID | 165075451 |
| Molecular Formula | C149H86N12O4S |
| Molecular Weight | 2140.47 g/mol |
| Exact Mass | 2138.66 |
| IUPAC Name | 9-[5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;9-[5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;9-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cc4oc5c(-n6c7ccccc7c7ccccc76)cccc5c4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cc4oc5c(-n6c7ccccc7c7ccccc76)cccc5c4c4ccccc34)n2)cc1.c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cc5oc6c(-n7c8ccccc8c8ccccc87)cccc6c5c5ccccc45)n3)ccc2c1 |
| InChI | InChI=1S/C51H30N4O.C49H28N4O2.C49H28N4OS/c1-3-14-33-28-35(26-24-31(33)12-1)49-52-50(36-27-25-32-13-2-4-15-34(32)29-36)54-51(53-49)42-30-46-47(40-19-6-5-16-37(40)42)41-20-11-23-45(48(41)56-46)55-43-21-9-7-17-38(43)39-18-8-10-22-44(39)55;1-2-13-29(14-3-1)47-50-48(30-25-26-35-34-18-8-11-24-42(34)54-43(35)27-30)52-49(51-47)38-28-44-45(36-19-5-4-15-31(36)38)37-20-12-23-41(46(37)55-44)53-39-21-9-6-16-32(39)33-17-7-10-22-40(33)53;1-2-13-29(14-3-1)47-50-48(30-25-26-44-37(27-30)34-18-8-11-24-43(34)55-44)52-49(51-47)38-28-42-45(35-19-5-4-15-31(35)38)36-20-12-23-41(46(36)54-42)53-39-21-9-6-16-32(39)33-17-7-10-22-40(33)53/h1-30H;2*1-28H |
| InChIKey | UFRRKMDRFKDXII-UHFFFAOYSA-N |
| XLogP | 39.64 |
| TPSA | 183.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 166 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2140.47 |
| LogP ≤ 5 | 39.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |