C157H91N9O6S — CID 162200037
2-dibenzofuran-3-yl-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine;2-(9H-fluoren-3-yl)-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-yl-1,3,5-triazine (PubChem CID 162200037) has the molecular formula C157H91N9O6S and a molecular weight of 2231.58 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine;2-(9H-fluoren-3-yl)-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-yl-1,3,5-triazine.
| Compound Name | 2-dibenzofuran-3-yl-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine;2-(9H-fluoren-3-yl)-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-yl-1,3,5-triazine |
|---|---|
| PubChem CID | 162200037 |
| Molecular Formula | C157H91N9O6S |
| Molecular Weight | 2231.58 g/mol |
| Exact Mass | 2229.68 |
| IUPAC Name | 2-dibenzofuran-3-yl-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine;2-(9H-fluoren-3-yl)-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-yl-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5sc6cc7c(cc6c45)-c4ccccc4C74c5ccccc5Oc5ccccc54)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)-c3ccccc3C4)nc(-c3cccc4oc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Oc4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4oc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Oc4ccccc43)n2)cc1 |
| InChI | InChI=1S/C53H31N3O2.C52H29N3O3.C52H31N3OS/c1-2-13-31(14-3-1)50-54-51(34-26-25-33-27-32-15-4-5-16-35(32)38(33)28-34)56-52(55-50)37-18-12-24-47-49(37)40-29-39-36-17-6-7-19-41(36)53(44(39)30-48(40)58-47)42-20-8-10-22-45(42)57-46-23-11-9-21-43(46)53;1-2-13-30(14-3-1)49-53-50(31-25-26-34-33-16-5-9-21-42(33)56-46(34)27-31)55-51(54-49)35-17-12-24-45-48(35)37-28-36-32-15-4-6-18-38(32)52(41(36)29-47(37)58-45)39-19-7-10-22-43(39)57-44-23-11-8-20-40(44)52;1-3-14-32(15-4-1)33-26-28-35(29-27-33)50-53-49(34-16-5-2-6-17-34)54-51(55-50)37-19-13-25-46-48(37)39-30-38-36-18-7-8-20-40(36)52(43(38)31-47(39)57-46)41-21-9-11-23-44(41)56-45-24-12-10-22-42(45)52/h1-26,28-30H,27H2;1-29H;1-31H |
| InChIKey | ZRLNUXNAIMNTKX-UHFFFAOYSA-N |
| XLogP | 39.33 |
| TPSA | 183.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 173 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2231.58 |
| LogP ≤ 5 | 39.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |