C222H138N12O4 — CID 165106906
8-[6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5-phenylquinoline;8-[6-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;7-[6-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline (PubChem CID 165106906) has the molecular formula C222H138N12O4 and a molecular weight of 3037.63 g/mol. Its IUPAC name is 8-[6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5-phenylquinoline;8-[6-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;7-[6-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline.
| Compound Name | 8-[6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5-phenylquinoline;8-[6-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;7-[6-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline |
|---|---|
| PubChem CID | 165106906 |
| Molecular Formula | C222H138N12O4 |
| Molecular Weight | 3037.63 g/mol |
| Exact Mass | 3035.10 |
| IUPAC Name | 8-[6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5-phenylquinoline;8-[6-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;7-[6-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline |
| SMILES | c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)-c4cc(-c6cccc7cccnc67)ccc4C54c5ccccc5Oc5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cc(-c5ccc(-c6ccccc6)c6cccnc56)ccc3C43c4ccccc4Oc4ccccc43)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)-c4cc(-c6ccc7cccnc7c6)ccc4C54c5ccccc5Oc5ccccc54)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)-c3cc(-c5cccc6cccnc56)ccc3C43c4ccccc4Oc4ccccc43)cc(-c3cccc4ccccc34)n2)cc1 |
| InChI | InChI=1S/3C56H35N3O.C54H33N3O/c1-4-15-36(16-5-1)41-28-29-42(54-43(41)21-14-32-57-54)39-26-30-46-44(33-39)45-34-40(55-58-50(37-17-6-2-7-18-37)35-51(59-55)38-19-8-3-9-20-38)27-31-47(45)56(46)48-22-10-12-24-52(48)60-53-25-13-11-23-49(53)56;1-3-14-36(15-4-1)50-35-51(59-55(58-50)38-16-5-2-6-17-38)42-20-11-19-39(32-42)40-27-29-46-44(33-40)45-34-41(43-22-12-18-37-21-13-31-57-54(37)43)28-30-47(45)56(46)48-23-7-9-25-52(48)60-53-26-10-8-24-49(53)56;1-3-13-36(14-4-1)39-17-11-18-42(31-39)51-35-52(59-55(58-51)38-15-5-2-6-16-38)43-27-29-47-45(33-43)44-32-40(41-25-24-37-19-12-30-57-50(37)34-41)26-28-46(44)56(47)48-20-7-9-22-53(48)60-54-23-10-8-21-49(54)56;1-2-14-36(15-3-1)53-56-48(33-49(57-53)41-21-10-16-34-13-4-5-19-39(34)41)38-27-29-45-43(32-38)42-31-37(40-20-11-17-35-18-12-30-55-52(35)40)26-28-44(42)54(45)46-22-6-8-24-50(46)58-51-25-9-7-23-47(51)54/h3*1-35H;1-33H |
| InChIKey | ZHICWFLQNRZFFS-UHFFFAOYSA-N |
| XLogP | 54.80 |
| TPSA | 191.60 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 238 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3037.63 |
| LogP ≤ 5 | 54.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |