C141H82N12O5 — CID 165108667
9-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole (PubChem CID 165108667) has the molecular formula C141H82N12O5 and a molecular weight of 2024.29 g/mol. Its IUPAC name is 9-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole.
| Compound Name | 9-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole |
|---|---|
| PubChem CID | 165108667 |
| Molecular Formula | C141H82N12O5 |
| Molecular Weight | 2024.29 g/mol |
| Exact Mass | 2022.65 |
| IUPAC Name | 9-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole |
| SMILES | c1ccc(-c2nc(-c3cc4ccccc4c4c3oc3c(-n5c6ccccc6c6ccccc65)cccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cc4ccccc4c4c3oc3c(-n5c6ccccc6c6ccccc65)cccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4c3oc3c(-n5c6ccccc6c6ccccc65)cccc34)n2)cc1 |
| InChI | InChI=1S/2C49H28N4O2.C43H26N4O/c1-2-14-29(15-3-1)47-50-48(36-22-13-27-42-43(36)34-20-8-11-26-41(34)54-42)52-49(51-47)37-28-30-16-4-5-17-31(30)44-35-21-12-25-40(45(35)55-46(37)44)53-38-23-9-6-18-32(38)33-19-7-10-24-39(33)53;1-2-13-29(14-3-1)47-50-48(31-25-26-36-35-19-8-11-24-42(35)54-43(36)28-31)52-49(51-47)38-27-30-15-4-5-16-32(30)44-37-20-12-23-41(45(37)55-46(38)44)53-39-21-9-6-17-33(39)34-18-7-10-22-40(34)53;1-3-14-27(15-4-1)41-44-42(28-16-5-2-6-17-28)46-43(45-41)34-26-29-18-7-8-19-30(29)38-33-22-13-25-37(39(33)48-40(34)38)47-35-23-11-9-20-31(35)32-21-10-12-24-36(32)47/h2*1-28H;1-26H |
| InChIKey | ZOTBAZAJIOCMAF-UHFFFAOYSA-N |
| XLogP | 36.87 |
| TPSA | 196.50 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 158 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2024.29 |
| LogP ≤ 5 | 36.87 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |