C448H280N56S8 — CID 158944319
2,5-bis[9-(3,5-diphenylphenyl)carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-(4,6-diphenylpyrimidin-2-yl)carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-(3-phenylphenyl)carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-thiadiazole (PubChem CID 158944319) has the molecular formula C448H280N56S8 and a molecular weight of 6704.10 g/mol. Its IUPAC name is 2,5-bis[9-(3,5-diphenylphenyl)carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-(4,6-diphenylpyrimidin-2-yl)carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-(3-phenylphenyl)carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-thiadiazole.
| Compound Name | 2,5-bis[9-(3,5-diphenylphenyl)carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-(4,6-diphenylpyrimidin-2-yl)carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-(3-phenylphenyl)carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-thiadiazole |
|---|---|
| PubChem CID | 158944319 |
| Molecular Formula | C448H280N56S8 |
| Molecular Weight | 6704.10 g/mol |
| Exact Mass | 6698.14 |
| IUPAC Name | 2,5-bis[9-(3,5-diphenylphenyl)carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-(4,6-diphenylpyrimidin-2-yl)carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-(3-phenylphenyl)carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-thiadiazole;2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-thiadiazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cccc(-c5nnc(-c6cccc7c8ccccc8n(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c67)s5)c43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cccc(-c5nnc(-c6cccc7c8ccccc8n(-c8cc(-c9ccccc9)cc(-c9ccccc9)n8)c67)s5)c43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cccc(-c5nnc(-c6cccc7c8ccccc8n(-c8nc(-c9ccccc9)cc(-c9ccccc9)n8)c67)s5)c43)n2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cccc(-c5nnc(-c6cccc7c8ccccc8n(-c8cccc(-c9ccccc9)c8)c67)s5)c43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cccc(-c5nnc(-c6cccc7c8ccccc8n(-c8cccc(-c9ccccc9)n8)c67)s5)c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cccc(-c6nnc(-c7cccc8c9ccccc9n(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9)c78)s6)c54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cccc(-c5nnc(-c6cccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c67)s5)c43)n2)cc1.c1cncc(-c2cccc(-n3c4ccccc4c4cccc(-c5nnc(-c6cccc7c8ccccc8n(-c8cccc(-c9cccnc9)n8)c67)s5)c43)n2)c1 |
| InChI | InChI=1S/C68H42N10S.C62H40N4S.C60H38N6S.C58H36N8S.C56H34N10S.C50H32N4S.C48H30N6S.C46H28N8S/c1-5-21-43(22-6-1)61-69-62(44-23-7-2-8-24-44)72-65(71-61)47-29-17-31-49(41-47)77-57-39-15-13-33-51(57)53-35-19-37-55(59(53)77)67-75-76-68(79-67)56-38-20-36-54-52-34-14-16-40-58(52)78(60(54)56)50-32-18-30-48(42-50)66-73-63(45-25-9-3-10-26-45)70-64(74-66)46-27-11-4-12-28-46;1-5-19-41(20-6-1)45-35-46(42-21-7-2-8-22-42)38-49(37-45)65-57-33-15-13-27-51(57)53-29-17-31-55(59(53)65)61-63-64-62(67-61)56-32-18-30-54-52-28-14-16-34-58(52)66(60(54)56)50-39-47(43-23-9-3-10-24-43)36-48(40-50)44-25-11-4-12-26-44;1-5-19-39(20-6-1)43-35-51(41-23-9-3-10-24-41)61-55(37-43)65-53-33-15-13-27-45(53)47-29-17-31-49(57(47)65)59-63-64-60(67-59)50-32-18-30-48-46-28-14-16-34-54(46)66(58(48)50)56-38-44(40-21-7-2-8-22-40)36-52(62-56)42-25-11-4-12-26-42;1-5-19-37(20-6-1)47-35-48(38-21-7-2-8-22-38)60-57(59-47)65-51-33-15-13-27-41(51)43-29-17-31-45(53(43)65)55-63-64-56(67-55)46-32-18-30-44-42-28-14-16-34-52(42)66(54(44)46)58-61-49(39-23-9-3-10-24-39)36-50(62-58)40-25-11-4-12-26-40;1-5-19-35(20-6-1)49-57-50(36-21-7-2-8-22-36)60-55(59-49)65-45-33-15-13-27-39(45)41-29-17-31-43(47(41)65)53-63-64-54(67-53)44-32-18-30-42-40-28-14-16-34-46(40)66(48(42)44)56-61-51(37-23-9-3-10-24-37)58-52(62-56)38-25-11-4-12-26-38;1-3-15-33(16-4-1)35-19-11-21-37(31-35)53-45-29-9-7-23-39(45)41-25-13-27-43(47(41)53)49-51-52-50(55-49)44-28-14-26-42-40-24-8-10-30-46(40)54(48(42)44)38-22-12-20-36(32-38)34-17-5-2-6-18-34;1-3-15-31(16-4-1)39-25-13-29-43(49-39)53-41-27-9-7-19-33(41)35-21-11-23-37(45(35)53)47-51-52-48(55-47)38-24-12-22-36-34-20-8-10-28-42(34)54(46(36)38)44-30-14-26-40(50-44)32-17-5-2-6-18-32;1-3-21-39-31(13-1)33-15-5-17-35(43(33)53(39)41-23-7-19-37(49-41)29-11-9-25-47-27-29)45-51-52-46(55-45)36-18-6-16-34-32-14-2-4-22-40(32)54(44(34)36)42-24-8-20-38(50-42)30-12-10-26-48-28-30/h1-42H;1-40H;1-38H;1-36H;1-34H;1-32H;1-30H;1-28H |
| InChIKey | JKQBMLZFHKBHCC-UHFFFAOYSA-N |
| XLogP | 112.69 |
| TPSA | 594.48 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 64 |
| Rotatable Bonds | 60 |
| Heavy Atoms | 512 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6704.10 |
| LogP ≤ 5 | 112.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 64 |