C179H110F6N12O3 — CID 161194184
4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole;methane;4-[4-[2-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]benzonitrile (PubChem CID 161194184) has the molecular formula C179H110F6N12O3 and a molecular weight of 2590.92 g/mol. Its IUPAC name is 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole;methane;4-[4-[2-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]benzonitrile.
| Compound Name | 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole;methane;4-[4-[2-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]benzonitrile |
|---|---|
| PubChem CID | 161194184 |
| Molecular Formula | C179H110F6N12O3 |
| Molecular Weight | 2590.92 g/mol |
| Exact Mass | 2588.87 |
| IUPAC Name | 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole;methane;4-[4-[2-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]benzonitrile |
| SMILES | C.FC(F)(F)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(-c3cccc4c3c3ccccc3n4-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)n2)cc1.N#Cc1ccc(-c2ccc(-c3cc(-c4cccc(-n5c6ccccc6c6cc(-c7cccc8c7-c7ccccc7C87c8ccccc8Oc8ccccc87)ccc65)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6cccc7c6-c6ccccc6C76c7ccccc7Oc7ccccc76)ccc54)c3)n2)cc1 |
| InChI | InChI=1S/C66H40N4O.C58H36N4O.C54H30F6N4O.CH4/c67-41-42-28-30-43(31-29-42)44-32-34-45(35-33-44)58-40-59(69-65(68-58)46-14-2-1-3-15-46)48-16-12-17-49(38-48)70-60-25-9-5-18-51(60)53-39-47(36-37-61(53)70)50-20-13-24-57-64(50)52-19-4-6-21-54(52)66(57)55-22-7-10-26-62(55)71-63-27-11-8-23-56(63)66;1-3-17-37(18-4-1)55-59-56(38-19-5-2-6-20-38)61-57(60-55)40-21-15-22-41(35-40)62-50-30-12-8-23-43(50)45-36-39(33-34-51(45)62)42-25-16-29-49-54(42)44-24-7-9-26-46(44)58(49)47-27-10-13-31-52(47)63-53-32-14-11-28-48(53)58;55-53(56,57)33-24-20-31(21-25-33)49-61-50(32-22-26-34(27-23-32)54(58,59)60)63-51(62-49)39-12-9-17-45-48(39)38-11-2-6-16-44(38)64(45)35-28-29-37-36-10-1-3-13-40(36)52(43(37)30-35)41-14-4-7-18-46(41)65-47-19-8-5-15-42(47)52;/h1-40H;1-36H;1-30H;1H4 |
| InChIKey | UUCZRAQMNSVHGL-UHFFFAOYSA-N |
| XLogP | 45.47 |
| TPSA | 169.39 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 200 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2590.92 |
| LogP ≤ 5 | 45.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |