C131H81N9O3 — CID 163773356
2,4-dinaphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 163773356) has the molecular formula C131H81N9O3 and a molecular weight of 1829.15 g/mol. Its IUPAC name is 2,4-dinaphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine.
| Compound Name | 2,4-dinaphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine |
|---|---|
| PubChem CID | 163773356 |
| Molecular Formula | C131H81N9O3 |
| Molecular Weight | 1829.15 g/mol |
| Exact Mass | 1827.65 |
| IUPAC Name | 2,4-dinaphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)c3c2oc2ccccc23)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c4c3oc3ccccc34)c2)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)c4c3oc3ccccc34)c2)cc1 |
| InChI | InChI=1S/C47H29N3O.C43H27N3O.C41H25N3O/c1-2-11-30(12-3-1)35-17-10-18-36(27-35)39-25-26-41(43-40-19-8-9-20-42(40)51-44(39)43)47-49-45(37-23-21-31-13-4-6-15-33(31)28-37)48-46(50-47)38-24-22-32-14-5-7-16-34(32)29-38;1-3-12-28(13-4-1)32-18-11-19-33(26-32)35-24-25-37(39-36-20-9-10-21-38(36)47-40(35)39)43-45-41(30-15-5-2-6-16-30)44-42(46-43)34-23-22-29-14-7-8-17-31(29)27-34;1-2-12-28(13-3-1)33-22-23-35(37-34-16-8-9-17-36(34)45-38(33)37)41-43-39(31-20-18-26-10-4-6-14-29(26)24-31)42-40(44-41)32-21-19-27-11-5-7-15-30(27)25-32/h1-29H;1-27H;1-25H |
| InChIKey | MIHLKKYBCWHXFH-UHFFFAOYSA-N |
| XLogP | 34.42 |
| TPSA | 155.43 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 143 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1829.15 |
| LogP ≤ 5 | 34.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |