C210H128N12O5S — CID 157349691
2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine (PubChem CID 157349691) has the molecular formula C210H128N12O5S and a molecular weight of 2931.48 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine.
| Compound Name | 2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 157349691 |
| Molecular Formula | C210H128N12O5S |
| Molecular Weight | 2931.48 g/mol |
| Exact Mass | 2928.99 |
| IUPAC Name | 2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine |
| SMILES | c1ccc(-c2nc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)nc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)nc(-c3cccc4ccccc34)n2)cc1 |
| InChI | InChI=1S/C56H35N3O.C52H31N3O2.C52H31N3OS.C50H31N3O/c1-3-17-36(18-4-1)40-33-34-46(43-24-8-7-23-42(40)43)55-58-53(37-19-5-2-6-20-37)57-54(59-55)39-22-15-21-38(35-39)41-27-16-31-50-52(41)60-51-32-14-13-30-49(51)56(50)47-28-11-9-25-44(47)45-26-10-12-29-48(45)56;1-2-14-32(15-3-1)49-53-50(55-51(54-49)35-28-29-40-39-20-6-10-26-45(39)56-47(40)31-35)34-17-12-16-33(30-34)36-21-13-25-44-48(36)57-46-27-11-9-24-43(46)52(44)41-22-7-4-18-37(41)38-19-5-8-23-42(38)52;1-2-14-32(15-3-1)49-53-50(55-51(54-49)35-28-29-40-39-20-6-11-27-46(39)57-47(40)31-35)34-17-12-16-33(30-34)36-21-13-25-44-48(36)56-45-26-10-9-24-43(45)52(44)41-22-7-4-18-37(41)38-19-5-8-23-42(38)52;1-2-16-33(17-3-1)47-51-48(53-49(52-47)40-25-13-18-32-15-4-5-21-36(32)40)35-20-12-19-34(31-35)37-24-14-29-44-46(37)54-45-30-11-10-28-43(45)50(44)41-26-8-6-22-38(41)39-23-7-9-27-42(39)50/h1-35H;2*1-31H;1-31H |
| InChIKey | BHJOSSYUUMDJON-UHFFFAOYSA-N |
| XLogP | 52.27 |
| TPSA | 204.74 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 228 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2931.48 |
| LogP ≤ 5 | 52.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |