C294H183N29OS — CID 160728893
11-(3-carbazol-9-ylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;12-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-2-yl-6-phenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzothiophen-2-yl-6-phenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[4-phenyl-6-(9-phenylcarbazol-3-yl)pyrimidin-2-yl]indolo[2,3-a]carbazole (PubChem CID 160728893) has the molecular formula C294H183N29OS and a molecular weight of 4169.97 g/mol. Its IUPAC name is 11-(3-carbazol-9-ylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;12-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-2-yl-6-phenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzothiophen-2-yl-6-phenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[4-phenyl-6-(9-phenylcarbazol-3-yl)pyrimidin-2-yl]indolo[2,3-a]carbazole.
| Compound Name | 11-(3-carbazol-9-ylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;12-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-2-yl-6-phenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzothiophen-2-yl-6-phenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[4-phenyl-6-(9-phenylcarbazol-3-yl)pyrimidin-2-yl]indolo[2,3-a]carbazole |
|---|---|
| PubChem CID | 160728893 |
| Molecular Formula | C294H183N29OS |
| Molecular Weight | 4169.97 g/mol |
| Exact Mass | 4166.49 |
| IUPAC Name | 11-(3-carbazol-9-ylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;12-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-2-yl-6-phenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzothiophen-2-yl-6-phenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[4-phenyl-6-(9-phenylcarbazol-3-yl)pyrimidin-2-yl]indolo[2,3-a]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2cc(-c3ccc4sc5ccccc5c4c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5c43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)n5)c4c32)cc1 |
| InChI | InChI=1S/C52H32N6.2C52H33N5.C46H29N5.C46H28N4O.C46H28N4S/c1-2-16-33(17-3-1)55-42-24-10-8-22-38(42)40-30-31-41-39-23-9-15-29-47(39)58(51(41)50(40)55)52-53-48(56-43-25-11-4-18-34(43)35-19-5-12-26-44(35)56)32-49(54-52)57-45-27-13-6-20-36(45)37-21-7-14-28-46(37)57;1-4-16-34(17-5-1)44-33-45(35-28-31-49-43(32-35)40-24-12-13-25-46(40)55(49)36-18-6-2-7-19-36)54-52(53-44)57-48-27-15-11-23-39(48)42-30-29-41-38-22-10-14-26-47(38)56(50(41)51(42)57)37-20-8-3-9-21-37;1-3-16-34(17-4-1)44-33-45(35-18-5-2-6-19-35)54-52(53-44)57-49-29-14-10-25-41(49)43-31-30-42-40-24-9-13-28-48(40)56(50(42)51(43)57)37-21-15-20-36(32-37)55-46-26-11-7-22-38(46)39-23-8-12-27-47(39)55;1-3-15-30(16-4-1)38-29-43(50-40-24-12-7-19-32(40)33-20-8-13-25-41(33)50)48-46(47-38)51-42-26-14-10-22-35(42)37-28-27-36-34-21-9-11-23-39(34)49(44(36)45(37)51)31-17-5-2-6-18-31;2*1-3-13-29(14-4-1)38-28-39(30-23-26-43-37(27-30)34-19-9-12-22-42(34)51-43)48-46(47-38)50-41-21-11-8-18-33(41)36-25-24-35-32-17-7-10-20-40(32)49(44(35)45(36)50)31-15-5-2-6-16-31/h1-32H;2*1-33H;1-29H;2*1-28H |
| InChIKey | RUBMLSIFRAKSNH-UHFFFAOYSA-N |
| XLogP | 74.78 |
| TPSA | 251.63 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 325 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4169.97 |
| LogP ≤ 5 | 74.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 31 |