C267H164N20O5 — CID 158598038
8-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline;8-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoline;8-[7-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoline;7-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline (PubChem CID 158598038) has the molecular formula C267H164N20O5 and a molecular weight of 3732.38 g/mol. Its IUPAC name is 8-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline;8-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoline;8-[7-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoline;7-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline.
| Compound Name | 8-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline;8-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoline;8-[7-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoline;7-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline |
|---|---|
| PubChem CID | 158598038 |
| Molecular Formula | C267H164N20O5 |
| Molecular Weight | 3732.38 g/mol |
| Exact Mass | 3729.32 |
| IUPAC Name | 8-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline;8-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoline;8-[7-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoline;7-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline |
| SMILES | c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4cc(-c6ccc7cccnc7c6)ccc4-5)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5cccc6cccnc56)ccc3-4)nc(-c3cccc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5ccc(-c6cccc7cccnc67)cc5)ccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5cccc6ncccc56)ccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4cc(-c6cccc7cccnc67)ccc4-5)c3)n2)cc1 |
| InChI | InChI=1S/3C55H34N4O.C53H32N4O.C49H30N4O/c1-3-14-36(15-4-1)52-57-53(37-16-5-2-6-17-37)59-54(58-52)41-20-11-19-38(32-41)39-27-29-43-44-30-28-40(42-22-12-18-35-21-13-31-56-51(35)42)34-48(44)55(47(43)33-39)45-23-7-9-25-49(45)60-50-26-10-8-24-46(50)55;1-3-13-38(14-4-1)52-57-53(39-15-5-2-6-16-39)59-54(58-52)41-29-31-44-43-30-28-40(35-24-26-36(27-25-35)42-19-11-17-37-18-12-32-56-51(37)42)33-47(43)55(48(44)34-41)45-20-7-9-22-49(45)60-50-23-10-8-21-46(50)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)42-27-29-44-43-28-26-39(40-25-24-36-19-12-30-56-49(36)34-40)32-47(43)55(48(44)33-42)45-20-7-9-22-50(45)60-51-23-10-8-21-46(51)55;1-2-14-35(15-3-1)50-55-51(57-52(56-50)42-21-10-16-33-13-4-5-19-38(33)42)37-27-29-41-40-28-26-36(39-20-11-17-34-18-12-30-54-49(34)39)31-45(40)53(46(41)32-37)43-22-6-8-24-47(43)58-48-25-9-7-23-44(48)53;1-3-13-31(14-4-1)46-51-47(32-15-5-2-6-16-32)53-48(52-46)34-25-27-37-36-26-24-33(35-17-11-21-43-38(35)18-12-28-50-43)29-41(36)49(42(37)30-34)39-19-7-9-22-44(39)54-45-23-10-8-20-40(45)49/h3*1-34H;1-32H;1-30H |
| InChIKey | HVGXBXXLODCXGW-UHFFFAOYSA-N |
| XLogP | 63.94 |
| TPSA | 303.95 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 292 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3732.38 |
| LogP ≤ 5 | 63.94 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |