C174H116N12 — CID 159099116
3-(9H-carbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole;2,4-diphenylpyridine;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole (PubChem CID 159099116) has the molecular formula C174H116N12 and a molecular weight of 2374.93 g/mol. Its IUPAC name is 3-(9H-carbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole;2,4-diphenylpyridine;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole.
| Compound Name | 3-(9H-carbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole;2,4-diphenylpyridine;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole |
|---|---|
| PubChem CID | 159099116 |
| Molecular Formula | C174H116N12 |
| Molecular Weight | 2374.93 g/mol |
| Exact Mass | 2372.94 |
| IUPAC Name | 3-(9H-carbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole;2,4-diphenylpyridine;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6[nH]c7ccccc7c6c5)ccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)ccc43)c2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)ccc43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccnc(-c3ccccc3)c2)cc1 |
| InChI | InChI=1S/2C58H38N4.C41H27N3.C17H13N/c1-5-17-39(18-6-1)51-35-45(36-52(59-51)40-19-7-2-8-20-40)61-55-27-15-13-25-47(55)49-33-43(29-31-57(49)61)44-30-32-58-50(34-44)48-26-14-16-28-56(48)62(58)46-37-53(41-21-9-3-10-22-41)60-54(38-46)42-23-11-4-12-24-42;1-5-17-39(18-6-1)45-35-51(40-19-7-2-8-20-40)60-58(36-45)62-55-28-16-14-26-48(55)50-34-44(30-32-57(50)62)43-29-31-56-49(33-43)47-25-13-15-27-54(47)61(56)46-37-52(41-21-9-3-10-22-41)59-53(38-46)42-23-11-4-12-24-42;1-3-11-27(12-4-1)31-25-38(28-13-5-2-6-14-28)43-41(26-31)44-39-18-10-8-16-33(39)35-24-30(20-22-40(35)44)29-19-21-37-34(23-29)32-15-7-9-17-36(32)42-37;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15/h2*1-38H;1-26,42H;1-13H |
| InChIKey | KDAYOTXBIMXOSN-UHFFFAOYSA-N |
| XLogP | 45.24 |
| TPSA | 117.78 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 186 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2374.93 |
| LogP ≤ 5 | 45.24 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 11 |