C156H100N12S3 — CID 164971665
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)thieno[3,2-c]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)thieno[3,2-c]quinoline;4-phenyl-2-(3-phenylphenyl)-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline (PubChem CID 164971665) has the molecular formula C156H100N12S3 and a molecular weight of 2238.80 g/mol. Its IUPAC name is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)thieno[3,2-c]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)thieno[3,2-c]quinoline;4-phenyl-2-(3-phenylphenyl)-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline.
| Compound Name | 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)thieno[3,2-c]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)thieno[3,2-c]quinoline;4-phenyl-2-(3-phenylphenyl)-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline |
|---|---|
| PubChem CID | 164971665 |
| Molecular Formula | C156H100N12S3 |
| Molecular Weight | 2238.80 g/mol |
| Exact Mass | 2236.74 |
| IUPAC Name | 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)thieno[3,2-c]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)thieno[3,2-c]quinoline;4-phenyl-2-(3-phenylphenyl)-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline |
| SMILES | c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5c(-c6cccc(-c7ccccc7)c6)sc6c5c(-c5ccccc5)nc5ccccc56)cc4)n3)c2)cc1.c1ccc(-c2cccc(-c3sc4c(c(-c5ccccc5)nc5ccccc54)c3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c2)cc1.c1ccc(-c2cccc(-c3sc4c(c(-c5ccccc5)nc5ccccc54)c3-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1 |
| InChI | InChI=1S/C56H36N4S.2C50H32N4S/c1-5-17-37(18-6-1)43-25-15-27-45(35-43)52-49(50-51(40-21-9-3-10-22-40)57-48-30-14-13-29-47(48)53(50)61-52)39-31-33-42(34-32-39)55-58-54(41-23-11-4-12-24-41)59-56(60-55)46-28-16-26-44(36-46)38-19-7-2-8-20-38;1-5-17-33(18-6-1)37-25-15-27-39(31-37)46-43(44-45(34-19-7-2-8-20-34)51-42-30-14-13-29-41(42)47(44)55-46)38-26-16-28-40(32-38)50-53-48(35-21-9-3-10-22-35)52-49(54-50)36-23-11-4-12-24-36;1-5-16-33(17-6-1)39-24-15-25-40(32-39)46-43(44-45(35-18-7-2-8-19-35)51-42-27-14-13-26-41(42)47(44)55-46)34-28-30-38(31-29-34)50-53-48(36-20-9-3-10-21-36)52-49(54-50)37-22-11-4-12-23-37/h1-36H;2*1-32H |
| InChIKey | DEZHVKVSOBLZMX-UHFFFAOYSA-N |
| XLogP | 41.58 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 171 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2238.80 |
| LogP ≤ 5 | 41.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |