C149H89N9O3S3 — CID 160738296
2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 160738296) has the molecular formula C149H89N9O3S3 and a molecular weight of 2149.61 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine.
| Compound Name | 2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 160738296 |
| Molecular Formula | C149H89N9O3S3 |
| Molecular Weight | 2149.61 g/mol |
| Exact Mass | 2147.63 |
| IUPAC Name | 2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cccc6c5sc5c(-c7ccccc7)cccc56)c4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)cc1.c1ccc(-c2cccc3c2sc2c(-c4cccc(-c5nc(-c6ccc7c(c6)oc6ccccc67)nc(-c6cccc7ccccc67)n5)c4)cccc23)cc1.c1ccc(-c2cccc3c2sc2c(-c4cccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7c(c6)oc6ccccc67)n5)c4)cccc23)cc1 |
| InChI | InChI=1S/C51H31N3OS.2C49H29N3OS/c1-3-12-32(13-4-1)33-24-26-35(27-25-33)49-52-50(54-51(53-49)38-28-29-42-41-18-7-8-23-45(41)55-46(42)31-38)37-17-9-16-36(30-37)40-20-11-22-44-43-21-10-19-39(47(43)56-48(40)44)34-14-5-2-6-15-34;1-2-12-31(13-3-1)36-20-10-22-40-41-23-11-21-37(46(41)54-45(36)40)32-16-8-17-33(28-32)47-50-48(34-26-27-39-38-19-6-7-25-43(38)53-44(39)29-34)52-49(51-47)42-24-9-15-30-14-4-5-18-35(30)42;1-2-12-31(13-3-1)37-18-9-20-41-42-21-10-19-38(46(42)54-45(37)41)33-15-8-16-34(28-33)47-50-48(35-24-23-30-11-4-5-14-32(30)27-35)52-49(51-47)36-25-26-40-39-17-6-7-22-43(39)53-44(40)29-36/h1-31H;2*1-29H |
| InChIKey | RVFWKRSMDJKBPR-UHFFFAOYSA-N |
| XLogP | 41.40 |
| TPSA | 155.43 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 164 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2149.61 |
| LogP ≤ 5 | 41.40 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |