C219H149N19 — CID 158053248
9-[6-carbazol-9-yl-2-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]pyrimidin-4-yl]carbazole;9-[3-carbazol-9-yl-5-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[6-(9,9-dimethylfluoren-2-yl)-2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-4-yl]carbazole;9-[3-(9,9-dimethylfluoren-2-yl)-5-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]carbazole (PubChem CID 158053248) has the molecular formula C219H149N19 and a molecular weight of 3046.73 g/mol. Its IUPAC name is 9-[6-carbazol-9-yl-2-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]pyrimidin-4-yl]carbazole;9-[3-carbazol-9-yl-5-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[6-(9,9-dimethylfluoren-2-yl)-2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-4-yl]carbazole;9-[3-(9,9-dimethylfluoren-2-yl)-5-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]carbazole.
| Compound Name | 9-[6-carbazol-9-yl-2-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]pyrimidin-4-yl]carbazole;9-[3-carbazol-9-yl-5-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[6-(9,9-dimethylfluoren-2-yl)-2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-4-yl]carbazole;9-[3-(9,9-dimethylfluoren-2-yl)-5-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 158053248 |
| Molecular Formula | C219H149N19 |
| Molecular Weight | 3046.73 g/mol |
| Exact Mass | 3044.22 |
| IUPAC Name | 9-[6-carbazol-9-yl-2-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]pyrimidin-4-yl]carbazole;9-[3-carbazol-9-yl-5-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[6-(9,9-dimethylfluoren-2-yl)-2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-4-yl]carbazole;9-[3-(9,9-dimethylfluoren-2-yl)-5-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]carbazole |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5ccccn5)nc(-c5ccccc5)n4)cc(-n4c5ccccc5c5ccccc54)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5nc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)n5)cc4)nc(-c4ccccc4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)n3)cc21.c1ccc(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)n2)cc1 |
| InChI | InChI=1S/C65H42N4.C59H40N6.C48H34N4.C47H33N5/c1-4-20-43(21-5-1)64-66-58(44-36-37-51-50-26-10-15-31-56(50)65(57(51)40-44,46-22-6-2-7-23-46)47-24-8-3-9-25-47)42-59(67-64)45-38-48(68-60-32-16-11-27-52(60)53-28-12-17-33-61(53)68)41-49(39-45)69-62-34-18-13-29-54(62)55-30-14-19-35-63(55)69;1-59(2)47-23-11-6-18-41(47)42-33-32-40(34-48(42)59)50-35-49(60-57(61-50)38-16-4-3-5-17-38)37-28-30-39(31-29-37)58-62-55(64-51-24-12-7-19-43(51)44-20-8-13-25-52(44)64)36-56(63-58)65-53-26-14-9-21-45(53)46-22-10-15-27-54(46)65;1-48(2)40-19-9-6-16-36(40)37-24-23-32(29-41(37)48)33-26-34(28-35(27-33)52-45-21-10-7-17-38(45)39-18-8-11-22-46(39)52)43-30-44(42-20-12-13-25-49-42)51-47(50-43)31-14-4-3-5-15-31;1-47(2)37-22-12-9-19-33(37)34-26-25-32(27-38(34)47)41-29-44(52-42-23-13-10-20-35(42)36-21-11-14-24-43(36)52)51-46(50-41)45-48-39(30-15-5-3-6-16-30)28-40(49-45)31-17-7-4-8-18-31/h1-42H;3-36H,1-2H3;3-30H,1-2H3;3-29H,1-2H3 |
| InChIKey | FJSUMQDQTAOTCP-UHFFFAOYSA-N |
| XLogP | 53.75 |
| TPSA | 197.15 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 238 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3046.73 |
| LogP ≤ 5 | 53.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |