C147H89N9O3S — CID 163618006
2-dibenzofuran-3-yl-4-phenyl-6-[4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[3,2-b][1]benzofuran-11-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[6-(4-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]-1,3,5-triazine (PubChem CID 163618006) has the molecular formula C147H89N9O3S and a molecular weight of 2061.46 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-phenyl-6-[4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[3,2-b][1]benzofuran-11-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[6-(4-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]-1,3,5-triazine.
| Compound Name | 2-dibenzofuran-3-yl-4-phenyl-6-[4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[3,2-b][1]benzofuran-11-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[6-(4-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]-1,3,5-triazine |
|---|---|
| PubChem CID | 163618006 |
| Molecular Formula | C147H89N9O3S |
| Molecular Weight | 2061.46 g/mol |
| Exact Mass | 2059.68 |
| IUPAC Name | 2-dibenzofuran-3-yl-4-phenyl-6-[4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[3,2-b][1]benzofuran-11-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[6-(4-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3c4ccccc4c(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)c4c3oc3ccccc34)cc2)cc1.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)c5c4oc4ccccc45)ccc3c2)cc1.c1ccc(-c2nc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5sc6ccccc6c45)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1 |
| InChI | InChI=1S/C51H31N3O.C49H29N3OS.C47H29N3O/c1-3-13-32(14-4-1)36-24-25-38-30-39(27-26-37(38)29-36)45-41-19-9-10-20-42(41)47(46-43-21-11-12-22-44(43)55-48(45)46)51-53-49(34-16-5-2-6-17-34)52-50(54-51)40-28-23-33-15-7-8-18-35(33)31-40;1-3-13-30(14-4-1)44-38-19-8-7-18-37(38)43(45-39-20-10-12-22-42(39)54-46(44)45)31-23-25-33(26-24-31)48-50-47(32-15-5-2-6-16-32)51-49(52-48)34-27-28-36-35-17-9-11-21-40(35)53-41(36)29-34;1-3-13-30(14-4-1)32-23-26-33(27-24-32)41-37-19-9-10-20-38(37)43(42-39-21-11-12-22-40(39)51-44(41)42)47-49-45(34-16-5-2-6-17-34)48-46(50-47)36-28-25-31-15-7-8-18-35(31)29-36/h1-31H;1-29H;1-29H |
| InChIKey | HLQABHYCNDURJD-UHFFFAOYSA-N |
| XLogP | 39.61 |
| TPSA | 155.43 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 160 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2061.46 |
| LogP ≤ 5 | 39.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |