C218H134N16S4 — CID 164957580
8-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-3'-yl]quinoline;8-[6'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-3'-yl]-5-phenylquinoline;8-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-3'-yl]quinoline;7-[6'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-3'-yl]quinoline (PubChem CID 164957580) has the molecular formula C218H134N16S4 and a molecular weight of 3105.85 g/mol. Its IUPAC name is 8-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-3'-yl]quinoline;8-[6'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-3'-yl]-5-phenylquinoline;8-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-3'-yl]quinoline;7-[6'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-3'-yl]quinoline.
| Compound Name | 8-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-3'-yl]quinoline;8-[6'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-3'-yl]-5-phenylquinoline;8-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-3'-yl]quinoline;7-[6'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-3'-yl]quinoline |
|---|---|
| PubChem CID | 164957580 |
| Molecular Formula | C218H134N16S4 |
| Molecular Weight | 3105.85 g/mol |
| Exact Mass | 3102.99 |
| IUPAC Name | 8-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-3'-yl]quinoline;8-[6'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-3'-yl]-5-phenylquinoline;8-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-3'-yl]quinoline;7-[6'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-3'-yl]quinoline |
| SMILES | c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)Sc4cc(-c6ccc7cccnc7c6)ccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)Sc3cc(-c5cccc6cccnc56)ccc3C43c4ccccc4-c4ccccc43)nc(-c3cccc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)Sc4cc(-c6cccc7cccnc67)ccc4C54c5ccccc5-c5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)Sc3cc(-c5ccc(-c6ccccc6)c6cccnc56)ccc3C43c4ccccc4-c4ccccc43)n2)cc1 |
| InChI | InChI=1S/3C55H34N4S.C53H32N4S/c1-4-15-35(16-5-1)40-28-29-41(51-44(40)23-14-32-56-51)38-26-30-47-49(33-38)60-50-34-39(27-31-48(50)55(47)45-24-12-10-21-42(45)43-22-11-13-25-46(43)55)54-58-52(36-17-6-2-7-18-36)57-53(59-54)37-19-8-3-9-20-37;1-3-13-37(14-4-1)52-57-53(38-15-5-2-6-16-38)59-54(58-52)39-26-24-35(25-27-39)40-28-30-47-49(33-40)60-50-34-41(42-21-11-17-36-18-12-32-56-51(36)42)29-31-48(50)55(47)45-22-9-7-19-43(45)44-20-8-10-23-46(44)55;1-3-13-35(14-4-1)38-17-11-18-41(31-38)53-57-52(37-15-5-2-6-16-37)58-54(59-53)42-27-29-48-51(34-42)60-50-33-40(39-25-24-36-19-12-30-56-49(36)32-39)26-28-47(50)55(48)45-22-9-7-20-43(45)44-21-8-10-23-46(44)55;1-2-14-35(15-3-1)50-55-51(57-52(56-50)42-23-10-16-33-13-4-5-19-38(33)42)37-27-29-46-48(32-37)58-47-31-36(39-22-11-17-34-18-12-30-54-49(34)39)26-28-45(47)53(46)43-24-8-6-20-40(43)41-21-7-9-25-44(41)53/h3*1-34H;1-32H |
| InChIKey | BJPYWSQTXOSYKL-UHFFFAOYSA-N |
| XLogP | 53.82 |
| TPSA | 206.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 238 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3105.85 |
| LogP ≤ 5 | 53.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |