C453H288N42S4 — CID 161078030
bis(2,4-dimethyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine);2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine;7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine;9-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole;9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]carbazole;2,4-dipyridin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[7'-(4,6-dithiophen-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-dithiophen-2-yl-1,3,5-triazine;4-[4-quinolin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]quinoline (PubChem CID 161078030) has the molecular formula C453H288N42S4 and a molecular weight of 6447.85 g/mol. Its IUPAC name is bis(2,4-dimethyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine);2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine;7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine;9-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole;9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]carbazole;2,4-dipyridin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[7'-(4,6-dithiophen-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-dithiophen-2-yl-1,3,5-triazine;4-[4-quinolin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]quinoline.
| Compound Name | bis(2,4-dimethyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine);2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine;7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine;9-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole;9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]carbazole;2,4-dipyridin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[7'-(4,6-dithiophen-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-dithiophen-2-yl-1,3,5-triazine;4-[4-quinolin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]quinoline |
|---|---|
| PubChem CID | 161078030 |
| Molecular Formula | C453H288N42S4 |
| Molecular Weight | 6447.85 g/mol |
| Exact Mass | 6442.27 |
| IUPAC Name | bis(2,4-dimethyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine);2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine;7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine;9-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole;9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]carbazole;2,4-dipyridin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[7'-(4,6-dithiophen-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-dithiophen-2-yl-1,3,5-triazine;4-[4-quinolin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]quinoline |
| SMILES | Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc42)c2ccccc2-3)cc1.Cc1nc(C)nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)n1.Cc1nc(C)nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-n5c6ccccc6c6ccccc65)ccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc(-n5c6ccccc6c6ccccc65)cc3-4)n2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3nc(-c4ccnc5ccccc45)nc(-c4ccnc5ccccc45)n3)cc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)cc21.c1csc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5nc(-c6cccs6)nc(-c6cccs6)n5)ccc3-4)nc(-c3cccs3)n2)c1 |
| InChI | InChI=1S/C54H38N4.2C52H32N4.2C52H34N4.C47H26N6S4.C46H27N5.C38H23N5.2C30H21N3/c1-35-21-26-40(27-22-35)58(41-28-23-36(2)24-29-41)42-30-32-46-44-18-10-12-20-48(44)54(50(46)34-42)47-19-11-9-17-43(47)45-31-25-39(33-49(45)54)53-56-51(37-13-5-3-6-14-37)55-52(57-53)38-15-7-4-8-16-38;1-3-15-33(16-4-1)49-53-50(34-17-5-2-6-18-34)55-51(54-49)35-27-29-39-40-30-28-36(56-47-25-13-9-21-41(47)42-22-10-14-26-48(42)56)32-46(40)52(45(39)31-35)43-23-11-7-19-37(43)38-20-8-12-24-44(38)52;1-3-15-33(16-4-1)49-53-50(34-17-5-2-6-18-34)55-51(54-49)35-27-29-39-42-32-36(56-47-25-13-9-21-40(47)41-22-10-14-26-48(41)56)28-30-45(42)52(46(39)31-35)43-23-11-7-19-37(43)38-20-8-12-24-44(38)52;1-5-17-35(18-6-1)49-53-50(36-19-7-2-8-20-36)55-51(54-49)37-29-31-43-41-25-13-15-27-45(41)52(47(43)33-37)46-28-16-14-26-42(46)44-32-30-40(34-48(44)52)56(38-21-9-3-10-22-38)39-23-11-4-12-24-39;1-5-17-35(18-6-1)49-53-50(36-19-7-2-8-20-36)55-51(54-49)37-29-31-43-44-32-30-40(56(38-21-9-3-10-22-38)39-23-11-4-12-24-39)34-48(44)52(47(43)33-37)45-27-15-13-25-41(45)42-26-14-16-28-46(42)52;1-3-11-33-29(9-1)30-10-2-4-12-34(30)47(33)35-25-27(41-48-43(37-13-5-21-54-37)52-44(49-41)38-14-6-22-55-38)17-19-31(35)32-20-18-28(26-36(32)47)42-50-45(39-15-7-23-56-39)53-46(51-42)40-16-8-24-57-40;1-6-16-37-29(11-1)30-12-2-7-17-38(30)46(37)39-18-8-3-13-31(39)32-22-21-28(27-40(32)46)43-49-44(35-23-25-47-41-19-9-4-14-33(35)41)51-45(50-43)36-24-26-48-42-20-10-5-15-34(36)42;1-4-10-31-27(7-1)28-8-2-5-11-32(28)38(31)33-12-6-3-9-29(33)30-14-13-26(23-34(30)38)37-42-35(24-15-19-39-20-16-24)41-36(43-37)25-17-21-40-22-18-25;2*1-18-31-19(2)33-29(32-18)20-15-16-24-23-11-5-8-14-27(23)30(28(24)17-20)25-12-6-3-9-21(25)22-10-4-7-13-26(22)30/h3-34H,1-2H3;2*1-32H;2*1-34H;1-26H;1-27H;1-23H;2*3-17H,1-2H3 |
| InChIKey | UFNSGCGSWHHSOY-UHFFFAOYSA-N |
| XLogP | 107.27 |
| TPSA | 496.51 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 46 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 499 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6447.85 |
| LogP ≤ 5 | 107.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 46 |