C244H158N22O — CID 158165732
2-[8-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole;2-[6-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole;2-[6-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole (PubChem CID 158165732) has the molecular formula C244H158N22O and a molecular weight of 3414.10 g/mol. Its IUPAC name is 2-[8-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole;2-[6-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole;2-[6-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole.
| Compound Name | 2-[8-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole;2-[6-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole;2-[6-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole |
|---|---|
| PubChem CID | 158165732 |
| Molecular Formula | C244H158N22O |
| Molecular Weight | 3414.10 g/mol |
| Exact Mass | 3411.30 |
| IUPAC Name | 2-[8-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole;2-[6-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole;2-[6-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole |
| SMILES | CC1(C)c2ccccc2-c2ccc3c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7cc9c(cc7n8-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c7ccccc7n9-c7ccccc7)ccc5n6-c5ncncn5)ccc4n(-c4ccccc4)c3c21.CC1(C)c2ccccc2-c2ccc3c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7cc9c(cc7n8-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c7ccccc7n9-c7ccccc7)ccc5n6-c5ccccc5)ccc4n(-c4ccccc4)c3c21.CC1(C)c2ccccc2-c2ccc3c4cc(-c5ccc6oc7ccc(-c8ccc9c(c8)c8cc%10c(cc8n9-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c8ccccc8n%10-c8ccccc8)cc7c6c5)ccc4n(-c4ccccc4)c3c21 |
| InChI | InChI=1S/C84H55N7.C82H53N9.C78H50N6O/c1-84(2)71-34-20-18-32-61(71)63-40-41-64-65-46-54(38-44-75(65)90(80(64)79(63)84)60-30-16-7-17-31-60)55-36-42-73-66(47-55)67-48-56(37-43-74(67)88(73)58-26-12-5-13-27-58)57-39-45-76-68(49-57)70-51-77-69(62-33-19-21-35-72(62)89(77)59-28-14-6-15-29-59)50-78(70)91(76)83-86-81(52-22-8-3-9-23-52)85-82(87-83)53-24-10-4-11-25-53;1-82(2)68-29-17-15-27-58(68)60-35-36-61-62-41-52(31-37-72(62)89(79(61)78(60)82)57-25-13-6-14-26-57)53-32-38-73-63(42-53)64-43-54(33-39-74(64)90(73)80-84-48-83-49-85-80)55-34-40-75-65(44-55)67-46-76-66(59-28-16-18-30-71(59)88(76)56-23-11-5-12-24-56)45-77(67)91(75)81-86-69(50-19-7-3-8-20-50)47-70(87-81)51-21-9-4-10-22-51;1-78(2)65-29-17-15-27-55(65)57-35-36-58-59-41-49(31-37-67(59)83(74(58)73(57)78)54-25-13-6-14-26-54)51-33-39-71-63(43-51)64-44-52(34-40-72(64)85-71)50-32-38-68-60(42-50)62-46-69-61(56-28-16-18-30-66(56)82(69)53-23-11-5-12-24-53)45-70(62)84(68)77-80-75(47-19-7-3-8-20-47)79-76(81-77)48-21-9-4-10-22-48/h3-51H,1-2H3;3-49H,1-2H3;3-46H,1-2H3 |
| InChIKey | FWUXGNUCAAQNGM-UHFFFAOYSA-N |
| XLogP | 61.30 |
| TPSA | 209.16 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 267 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3414.10 |
| LogP ≤ 5 | 61.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 23 |