C191H119N17O4 — CID 163978854
8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-8-pyridin-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenyl-8-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-phenyl-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 163978854) has the molecular formula C191H119N17O4 and a molecular weight of 2716.17 g/mol. Its IUPAC name is 8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-8-pyridin-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenyl-8-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-phenyl-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole.
| Compound Name | 8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-8-pyridin-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenyl-8-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-phenyl-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole |
|---|---|
| PubChem CID | 163978854 |
| Molecular Formula | C191H119N17O4 |
| Molecular Weight | 2716.17 g/mol |
| Exact Mass | 2713.96 |
| IUPAC Name | 8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-8-pyridin-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenyl-8-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-phenyl-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5oc6c(ccc7c8ccccc8n(-c8ccccc8)c76)c5c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5oc6c(ccc7c8ccccc8n(-c8ccccc8)c76)c5c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6c(ccc7c8ccccc8n(-c8ccccc8)c76)c5c4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccccn4)ccc4oc5c(ccc6c7ccccc7n(-c7ccccc7)c65)c34)n2)cc1 |
| InChI | InChI=1S/2C51H32N4O.C45H28N4O.C44H27N5O/c1-4-13-33(14-5-1)35-23-25-36(26-24-35)49-52-50(38-18-12-17-37(31-38)34-15-6-2-7-16-34)54-51(53-49)39-27-30-46-44(32-39)43-29-28-42-41-21-10-11-22-45(41)55(47(42)48(43)56-46)40-19-8-3-9-20-40;1-4-12-33(13-5-1)35-20-24-37(25-21-35)49-52-50(38-26-22-36(23-27-38)34-14-6-2-7-15-34)54-51(53-49)39-28-31-46-44(32-39)43-30-29-42-41-18-10-11-19-45(41)55(47(42)48(43)56-46)40-16-8-3-9-17-40;1-4-13-29(14-5-1)31-17-12-18-32(27-31)44-46-43(30-15-6-2-7-16-30)47-45(48-44)33-23-26-40-38(28-33)37-25-24-36-35-21-10-11-22-39(35)49(41(36)42(37)50-40)34-19-8-3-9-20-34;1-4-14-28(15-5-1)42-46-43(29-16-6-2-7-17-29)48-44(47-42)39-33(35-21-12-13-27-45-35)25-26-37-38(39)34-24-23-32-31-20-10-11-22-36(31)49(40(32)41(34)50-37)30-18-8-3-9-19-30/h2*1-32H;1-28H;1-27H |
| InChIKey | SWOSLSYNCSSNDW-UHFFFAOYSA-N |
| XLogP | 48.87 |
| TPSA | 239.85 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 212 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2716.17 |
| LogP ≤ 5 | 48.87 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |