C175H109N23S3 — CID 161309260
2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(4,6-diphenyl-2-pyridinyl)-9H-fluoren-4-yl]-1,3,4-thiadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-1-yl]-5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-1,3,4-thiadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-1,3,4-thiadiazole (PubChem CID 161309260) has the molecular formula C175H109N23S3 and a molecular weight of 2630.16 g/mol. Its IUPAC name is 2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(4,6-diphenyl-2-pyridinyl)-9H-fluoren-4-yl]-1,3,4-thiadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-1-yl]-5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-1,3,4-thiadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-1,3,4-thiadiazole.
| Compound Name | 2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(4,6-diphenyl-2-pyridinyl)-9H-fluoren-4-yl]-1,3,4-thiadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-1-yl]-5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-1,3,4-thiadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-1,3,4-thiadiazole |
|---|---|
| PubChem CID | 161309260 |
| Molecular Formula | C175H109N23S3 |
| Molecular Weight | 2630.16 g/mol |
| Exact Mass | 2627.84 |
| IUPAC Name | 2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(4,6-diphenyl-2-pyridinyl)-9H-fluoren-4-yl]-1,3,4-thiadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-1-yl]-5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-1,3,4-thiadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-1,3,4-thiadiazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5nnc(-c6cccc7c8ccccc8n(-c8nc(-c9ccccc9)cc(-c9ccccc9)n8)c67)s5)cccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(C3c4ccccc4-c4c(-c5nnc(-c6cccc7c8ccccc8n(-c8cc(-c9ccccc9)cc(-c9ccccc9)n8)c67)s5)cccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5nnc(-c6cccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c67)s5)cccc43)n2)cc1 |
| InChI | InChI=1S/C61H39N5S.C58H36N8S.C56H34N10S/c1-5-19-39(20-6-1)43-35-52(41-23-9-3-10-24-41)62-54(37-43)58-47-29-14-13-28-46(47)57-49(58)31-18-32-50(57)60-64-65-61(67-60)51-33-17-30-48-45-27-15-16-34-55(45)66(59(48)51)56-38-44(40-21-7-2-8-22-40)36-53(63-56)42-25-11-4-12-26-42;1-5-19-37(20-6-1)46-35-47(38-21-7-2-8-22-38)60-57(59-46)65-51-33-16-14-28-43(51)53-44(30-18-34-52(53)65)55-63-64-56(67-55)45-31-17-29-42-41-27-13-15-32-50(41)66(54(42)45)58-61-48(39-23-9-3-10-24-39)36-49(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)65-45-33-16-14-28-41(45)47-42(30-18-34-46(47)65)53-63-64-54(67-53)43-31-17-29-40-39-27-13-15-32-44(39)66(48(40)43)56-61-51(37-23-9-3-10-24-37)58-52(62-56)38-25-11-4-12-26-38/h1-38,58H;1-36H;1-34H |
| InChIKey | VIQZYXFZXFELTQ-UHFFFAOYSA-N |
| XLogP | 43.01 |
| TPSA | 256.67 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 201 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2630.16 |
| LogP ≤ 5 | 43.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |