C141H86N12O4 — CID 164983818
3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzofuran-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole (PubChem CID 164983818) has the molecular formula C141H86N12O4 and a molecular weight of 2012.32 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzofuran-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole.
| Compound Name | 3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzofuran-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole |
|---|---|
| PubChem CID | 164983818 |
| Molecular Formula | C141H86N12O4 |
| Molecular Weight | 2012.32 g/mol |
| Exact Mass | 2010.69 |
| IUPAC Name | 3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzofuran-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole |
| SMILES | c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-n3c4ccccc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)c(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)cc3)n2)cc1 |
| InChI | InChI=1S/C51H32N4O.C45H26N4O2.C45H28N4O/c1-4-15-33(16-5-1)38-29-27-37(51-53-49(34-17-6-2-7-18-34)52-50(54-51)35-19-8-3-9-20-35)32-46(38)55-44-25-12-10-21-40(44)43-31-36(28-30-45(43)55)39-23-14-24-42-41-22-11-13-26-47(41)56-48(39)42;1-2-12-27(13-3-1)43-46-44(34-19-11-23-40-41(34)33-16-6-9-22-39(33)50-40)48-45(47-43)49-36-20-7-4-14-30(36)35-26-28(24-25-37(35)49)29-17-10-18-32-31-15-5-8-21-38(31)51-42(29)32;1-3-12-29(13-4-1)43-46-44(30-14-5-2-6-15-30)48-45(47-43)31-22-25-33(26-23-31)49-39-20-9-7-16-35(39)38-28-32(24-27-40(38)49)34-18-11-19-37-36-17-8-10-21-41(36)50-42(34)37/h1-32H;1-26H;1-28H |
| InChIKey | FWEZUDIBDGPFOM-UHFFFAOYSA-N |
| XLogP | 36.51 |
| TPSA | 183.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 157 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2012.32 |
| LogP ≤ 5 | 36.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |