C250H151F6N15O7S — CID 159358717
2'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole;9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 159358717) has the molecular formula C250H151F6N15O7S and a molecular weight of 3623.11 g/mol. Its IUPAC name is 2'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole;9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]carbazole.
| Compound Name | 2'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole;9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 159358717 |
| Molecular Formula | C250H151F6N15O7S |
| Molecular Weight | 3623.11 g/mol |
| Exact Mass | 3620.15 |
| IUPAC Name | 2'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole;9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]carbazole |
| SMILES | FC(F)(F)Oc1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)cc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)nc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccccn4)cc3)nc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6ccccc6ccc54)c3)nc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)n2)cc1 |
| InChI | InChI=1S/C56H34N4O.C52H32N4O.C52H31N3OS.C45H26F6O3.C45H28N4O/c1-2-16-36(17-3-1)53-57-54(37-18-14-19-39(33-37)60-48-27-12-8-23-43(48)52-40-20-5-4-15-35(40)29-31-49(52)60)59-55(58-53)38-30-32-51-47(34-38)56(46-26-11-13-28-50(46)61-51)44-24-9-6-21-41(44)42-22-7-10-25-45(42)56;1-2-14-33(15-3-1)49-53-50(34-26-29-36(30-27-34)56-45-23-11-6-18-39(45)40-19-7-12-24-46(40)56)55-51(54-49)35-28-31-44-48(32-35)57-47-25-13-10-22-43(47)52(44)41-20-8-4-16-37(41)38-17-5-9-21-42(38)52;1-2-12-33(13-3-1)49-53-50(34-24-22-32(23-25-34)35-26-28-40-39-16-6-11-21-47(39)57-48(40)31-35)55-51(54-49)36-27-29-46-44(30-36)52(43-19-9-10-20-45(43)56-46)41-17-7-4-14-37(41)38-15-5-8-18-42(38)52;46-44(47,48)53-33-18-13-27(14-19-33)30-23-31(28-15-20-34(21-16-28)54-45(49,50)51)25-32(24-30)29-17-22-42-40(26-29)43(39-11-5-6-12-41(39)52-42)37-9-3-1-7-35(37)36-8-2-4-10-38(36)43;1-2-12-30(13-3-1)42-47-43(31-23-21-29(22-24-31)39-19-10-11-27-46-39)49-44(48-42)32-25-26-41-38(28-32)45(37-18-8-9-20-40(37)50-41)35-16-6-4-14-33(35)34-15-5-7-17-36(34)45/h1-34H;1-32H;1-31H;1-26H;1-28H |
| InChIKey | LIGGLPYRAYFGGP-UHFFFAOYSA-N |
| XLogP | 62.76 |
| TPSA | 242.04 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 279 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3623.11 |
| LogP ≤ 5 | 62.76 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 23 |