C153H93N15O3 — CID 157053700
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(8-carbazol-9-yldibenzofuran-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 157053700) has the molecular formula C153H93N15O3 and a molecular weight of 2189.53 g/mol. Its IUPAC name is 3-(6-carbazol-9-yldibenzofuran-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(8-carbazol-9-yldibenzofuran-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.
| Compound Name | 3-(6-carbazol-9-yldibenzofuran-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(8-carbazol-9-yldibenzofuran-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole |
|---|---|
| PubChem CID | 157053700 |
| Molecular Formula | C153H93N15O3 |
| Molecular Weight | 2189.53 g/mol |
| Exact Mass | 2187.76 |
| IUPAC Name | 3-(6-carbazol-9-yldibenzofuran-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(8-carbazol-9-yldibenzofuran-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6oc7c(-n8c9ccccc9c9ccccc98)cccc7c6c5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc6c5oc5ccc(-n7c8ccccc8c8ccccc87)cc56)ccc43)n2)cc1 |
| InChI | InChI=1S/3C51H31N5O/c1-3-14-32(15-4-1)49-52-50(33-16-5-2-6-17-33)54-51(53-49)56-45-25-12-9-20-39(45)41-30-34(26-28-46(41)56)36-21-13-22-40-42-31-35(27-29-47(42)57-48(36)40)55-43-23-10-7-18-37(43)38-19-8-11-24-44(38)55;1-3-14-32(15-4-1)49-52-50(33-16-5-2-6-17-33)54-51(53-49)56-44-24-12-9-20-38(44)40-30-34(26-28-45(40)56)35-27-29-47-41(31-35)39-21-13-25-46(48(39)57-47)55-42-22-10-7-18-36(42)37-19-8-11-23-43(37)55;1-3-13-32(14-4-1)49-52-50(33-15-5-2-6-16-33)54-51(53-49)56-45-22-12-9-19-39(45)40-29-34(23-26-46(40)56)35-24-27-47-41(30-35)42-31-36(25-28-48(42)57-47)55-43-20-10-7-17-37(43)38-18-8-11-21-44(38)55/h3*1-31H |
| InChIKey | AAMQOAVMCMFOIF-UHFFFAOYSA-N |
| XLogP | 38.90 |
| TPSA | 185.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 171 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2189.53 |
| LogP ≤ 5 | 38.90 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |