C160H100N12O5Si — CID 163721873
2-dibenzofuran-3-yl-4-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-7-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzofuran-7-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 163721873) has the molecular formula C160H100N12O5Si and a molecular weight of 2298.72 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-7-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzofuran-7-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine.
| Compound Name | 2-dibenzofuran-3-yl-4-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-7-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzofuran-7-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine |
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| PubChem CID | 163721873 |
| Molecular Formula | C160H100N12O5Si |
| Molecular Weight | 2298.72 g/mol |
| Exact Mass | 2296.77 |
| IUPAC Name | 2-dibenzofuran-3-yl-4-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-7-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzofuran-7-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine |
| SMILES | C[Si]1(C)c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)c2-c2ccc3ccccc3c21.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc5oc6c7ccccc7ccc6c45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cccc4oc5c6ccccc6ccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4oc5c6ccccc6ccc5c34)n2)cc1 |
| InChI | InChI=1S/C43H27N3O.C41H25N3O.C39H27N3OSi.C37H21N3O2/c1-3-10-28(11-4-1)30-18-22-33(23-19-30)41-44-42(34-24-20-31(21-25-34)29-12-5-2-6-13-29)46-43(45-41)37-16-9-17-38-39(37)36-27-26-32-14-7-8-15-35(32)40(36)47-38;1-2-11-29(12-3-1)39-42-40(30-20-17-27(18-21-30)32-22-19-26-9-4-5-13-31(26)25-32)44-41(43-39)35-15-8-16-36-37(35)34-24-23-28-10-6-7-14-33(28)38(34)45-36;1-44(2)34-18-10-16-31(35(34)30-22-19-24-11-6-7-14-27(24)36(30)44)39-41-37(25-12-4-3-5-13-25)40-38(42-39)26-20-21-29-28-15-8-9-17-32(28)43-33(29)23-26;1-2-10-23(11-3-1)35-38-36(24-18-19-27-26-13-6-7-15-30(26)41-32(27)21-24)40-37(39-35)29-14-8-16-31-33(29)28-20-17-22-9-4-5-12-25(22)34(28)42-31/h1-27H;1-25H;3-23H,1-2H3;1-21H |
| InChIKey | KSGHBMYODDYQIK-UHFFFAOYSA-N |
| XLogP | 40.56 |
| TPSA | 220.38 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 178 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2298.72 |
| LogP ≤ 5 | 40.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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