C321H198N12O2S7 — CID 159091698
2-[9-(4-dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;2-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;2-[9-(4-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;2-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-4-yl]-9-phenylcarbazole;4-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-2-yl)carbazole;4-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole (PubChem CID 159091698) has the molecular formula C321H198N12O2S7 and a molecular weight of 4479.67 g/mol. Its IUPAC name is 2-[9-(4-dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;2-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;2-[9-(4-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;2-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-4-yl]-9-phenylcarbazole;4-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-2-yl)carbazole;4-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole.
| Compound Name | 2-[9-(4-dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;2-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;2-[9-(4-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;2-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-4-yl]-9-phenylcarbazole;4-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-2-yl)carbazole;4-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole |
|---|---|
| PubChem CID | 159091698 |
| Molecular Formula | C321H198N12O2S7 |
| Molecular Weight | 4479.67 g/mol |
| Exact Mass | 4475.38 |
| IUPAC Name | 2-[9-(4-dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;2-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;2-[9-(4-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;2-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-4-yl]-9-phenylcarbazole;4-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-2-yl)carbazole;4-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3cc(-n4c5ccccc5c5c(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cccc54)cc4c3sc3ccccc34)cc21.c1ccc(-c2cc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc43)cc3c2sc2ccccc23)cc1.c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cccc54)cc4c3sc3ccccc34)cc2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4c4ccccc4n5-c4cc(-c5ccc6oc7ccccc7c6c5)c5sc6ccccc6c5c4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4c4ccccc4n5-c4cc(-c5ccc6sc7ccccc7c6c5)c5sc6ccccc6c5c4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4c4ccccc4n5-c4cc(-c5cccc6c5oc5ccccc56)c5sc6ccccc6c5c4)cc32)cc1 |
| InChI | InChI=1S/C57H38N2S.2C54H32N2OS.C54H32N2S2.C54H34N2S.C48H30N2S/c1-57(2)48-22-10-6-17-40(48)41-29-27-35(31-49(41)57)46-33-38(34-47-44-19-9-13-26-54(44)60-56(46)47)59-51-24-12-8-20-45(51)55-39(21-14-25-52(55)59)36-28-30-43-42-18-7-11-23-50(42)58(53(43)32-36)37-15-4-3-5-16-37;1-2-14-34(15-3-1)55-46-23-8-4-16-37(46)38-29-28-33(30-49(38)55)36-20-13-25-48-52(36)43-19-5-9-24-47(43)56(48)35-31-44-40-18-7-11-27-51(40)58-54(44)45(32-35)42-22-12-21-41-39-17-6-10-26-50(39)57-53(41)42;1-2-13-35(14-3-1)55-46-20-8-4-15-38(46)39-27-25-34(30-49(39)55)37-19-12-22-48-53(37)42-18-5-9-21-47(42)56(48)36-31-43(54-45(32-36)41-17-7-11-24-52(41)58-54)33-26-28-51-44(29-33)40-16-6-10-23-50(40)57-51;1-2-13-35(14-3-1)55-46-20-8-4-15-38(46)39-27-25-34(30-49(39)55)37-19-12-22-48-53(37)42-18-5-9-21-47(42)56(48)36-31-43(54-45(32-36)41-17-7-11-24-51(41)58-54)33-26-28-52-44(29-33)40-16-6-10-23-50(40)57-52;1-3-14-35(15-4-1)36-26-28-37(29-27-36)45-33-40(34-47-43-19-9-12-25-52(43)57-54(45)47)56-49-23-11-8-20-44(49)53-41(21-13-24-51(53)56)38-30-31-50-46(32-38)42-18-7-10-22-48(42)55(50)39-16-5-2-6-17-39;1-3-14-31(15-4-1)39-29-34(30-41-37-19-9-12-25-46(37)51-48(39)41)50-43-23-11-8-20-38(43)47-35(21-13-24-45(47)50)32-26-27-44-40(28-32)36-18-7-10-22-42(36)49(44)33-16-5-2-6-17-33/h3-34H,1-2H3;3*1-32H;1-34H;1-30H |
| InChIKey | KCDLGBXDZJXAKS-UHFFFAOYSA-N |
| XLogP | 91.64 |
| TPSA | 85.44 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 342 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4479.67 |
| LogP ≤ 5 | 91.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |