C148H96N14S6 — CID 157217344
N-(1-benzothiophen-6-yl)-N,6-diphenylpyridin-3-amine;6-(5-phenyl-2-pyridinyl)thieno[3,2-c]carbazole;6-(4-pyridin-2-ylphenyl)thieno[3,2-c]carbazole;6-(4-pyridin-3-ylphenyl)thieno[3,2-c]carbazole;6-(5-pyridin-3-yl-2-pyridinyl)thieno[3,2-c]carbazole;6-(5-pyridin-4-yl-2-pyridinyl)thieno[3,2-c]carbazole (PubChem CID 157217344) has the molecular formula C148H96N14S6 and a molecular weight of 2262.90 g/mol. Its IUPAC name is N-(1-benzothiophen-6-yl)-N,6-diphenylpyridin-3-amine;6-(5-phenyl-2-pyridinyl)thieno[3,2-c]carbazole;6-(4-pyridin-2-ylphenyl)thieno[3,2-c]carbazole;6-(4-pyridin-3-ylphenyl)thieno[3,2-c]carbazole;6-(5-pyridin-3-yl-2-pyridinyl)thieno[3,2-c]carbazole;6-(5-pyridin-4-yl-2-pyridinyl)thieno[3,2-c]carbazole.
| Compound Name | N-(1-benzothiophen-6-yl)-N,6-diphenylpyridin-3-amine;6-(5-phenyl-2-pyridinyl)thieno[3,2-c]carbazole;6-(4-pyridin-2-ylphenyl)thieno[3,2-c]carbazole;6-(4-pyridin-3-ylphenyl)thieno[3,2-c]carbazole;6-(5-pyridin-3-yl-2-pyridinyl)thieno[3,2-c]carbazole;6-(5-pyridin-4-yl-2-pyridinyl)thieno[3,2-c]carbazole |
|---|---|
| PubChem CID | 157217344 |
| Molecular Formula | C148H96N14S6 |
| Molecular Weight | 2262.90 g/mol |
| Exact Mass | 2260.63 |
| IUPAC Name | N-(1-benzothiophen-6-yl)-N,6-diphenylpyridin-3-amine;6-(5-phenyl-2-pyridinyl)thieno[3,2-c]carbazole;6-(4-pyridin-2-ylphenyl)thieno[3,2-c]carbazole;6-(4-pyridin-3-ylphenyl)thieno[3,2-c]carbazole;6-(5-pyridin-3-yl-2-pyridinyl)thieno[3,2-c]carbazole;6-(5-pyridin-4-yl-2-pyridinyl)thieno[3,2-c]carbazole |
| SMILES | c1ccc(-c2ccc(-n3c4ccccc4c4c5sccc5ccc43)cc2)nc1.c1ccc(-c2ccc(-n3c4ccccc4c4c5sccc5ccc43)nc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4ccsc4c3)cn2)cc1.c1ccc2c(c1)c1c3sccc3ccc1n2-c1ccc(-c2ccncc2)cn1.c1cncc(-c2ccc(-n3c4ccccc4c4c5sccc5ccc43)cc2)c1.c1cncc(-c2ccc(-n3c4ccccc4c4c5sccc5ccc43)nc2)c1 |
| InChI | InChI=1S/3C25H16N2S.C25H18N2S.2C24H15N3S/c1-2-7-22-20(5-1)24-23(13-10-18-14-16-28-25(18)24)27(22)19-11-8-17(9-12-19)21-6-3-4-15-26-21;1-2-6-22-21(5-1)24-23(12-9-18-13-15-28-25(18)24)27(22)20-10-7-17(8-11-20)19-4-3-14-26-16-19;1-2-6-17(7-3-1)19-11-13-23(26-16-19)27-21-9-5-4-8-20(21)24-22(27)12-10-18-14-15-28-25(18)24;1-3-7-19(8-4-1)24-14-13-23(18-26-24)27(21-9-5-2-6-10-21)22-12-11-20-15-16-28-25(20)17-22;1-2-6-20-19(5-1)23-21(9-7-16-11-13-28-24(16)23)27(20)22-10-8-18(15-26-22)17-4-3-12-25-14-17;1-2-4-20-19(3-1)23-21(7-5-17-11-14-28-24(17)23)27(20)22-8-6-18(15-26-22)16-9-12-25-13-10-16/h3*1-16H;1-18H;2*1-15H |
| InChIKey | ASONWFPYVPQWOR-UHFFFAOYSA-N |
| XLogP | 41.53 |
| TPSA | 131.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 168 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2262.90 |
| LogP ≤ 5 | 41.53 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |