C147H88N12O4S — CID 165046389
3-dibenzofuran-3-yl-9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzofuran-3-yl-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzofuran-3-yl-9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole (PubChem CID 165046389) has the molecular formula C147H88N12O4S and a molecular weight of 2118.47 g/mol. Its IUPAC name is 3-dibenzofuran-3-yl-9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzofuran-3-yl-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzofuran-3-yl-9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole.
| Compound Name | 3-dibenzofuran-3-yl-9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzofuran-3-yl-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzofuran-3-yl-9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole |
|---|---|
| PubChem CID | 165046389 |
| Molecular Formula | C147H88N12O4S |
| Molecular Weight | 2118.47 g/mol |
| Exact Mass | 2116.68 |
| IUPAC Name | 3-dibenzofuran-3-yl-9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzofuran-3-yl-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzofuran-3-yl-9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole |
| SMILES | c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)oc6ccccc67)ccc54)c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)oc5ccccc56)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)oc6ccccc67)ccc54)cc3)n2)cc1 |
| InChI | InChI=1S/C51H30N4O2.C51H32N4O.C45H26N4OS/c1-2-12-31(13-3-1)49-52-50(54-51(53-49)40-19-11-23-46-48(40)39-18-6-9-22-45(39)56-46)34-14-10-15-35(28-34)55-42-20-7-4-16-36(42)41-29-32(25-27-43(41)55)33-24-26-38-37-17-5-8-21-44(37)57-47(38)30-33;1-3-13-34(14-4-1)49-52-50(35-15-5-2-6-16-35)54-51(53-49)43-20-8-7-17-39(43)33-23-27-38(28-24-33)55-45-21-11-9-18-40(45)44-31-36(26-30-46(44)55)37-25-29-42-41-19-10-12-22-47(41)56-48(42)32-37;1-2-11-27(12-3-1)43-46-44(35-17-10-16-34-33-15-6-9-20-41(33)51-42(34)35)48-45(47-43)49-37-18-7-4-13-30(37)36-25-28(22-24-38(36)49)29-21-23-32-31-14-5-8-19-39(31)50-40(32)26-29/h1-30H;1-32H;1-26H |
| InChIKey | OYWHKOCJNVJNOE-UHFFFAOYSA-N |
| XLogP | 38.88 |
| TPSA | 183.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 164 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2118.47 |
| LogP ≤ 5 | 38.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |