2-dibenzofuran-1-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
C255H149N15O8S5 — CID 157313483
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-dibenzofuran-1-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)cc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)cc(-c3ccccc3-c3cccnc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/3C51H29N3O2S.2C51H31N3OS/c1-2-12-31(13-3-1)49-52-50(54-51(53-49)40-19-10-18-36-34-14-4-7-20-41(34)55-47(36)40)32-26-24-30(25-27-32)33-28-29-37(48-46(33)38-15-5-8-21-42(38)56-48)35-17-11-23-44-45(35)39-16-6-9-22-43(39)57-44;1-2-12-31(13-3-1)49-52-50(54-51(53-49)39-18-10-21-42-45(39)36-14-4-7-19-40(36)55-42)32-26-24-30(25-27-32)33-28-29-35(48-47(33)37-15-5-8-20-41(37)56-48)34-17-11-23-44-46(34)38-16-6-9-22-43(38)57-44;1-2-11-31(12-3-1)49-52-50(54-51(53-49)33-25-28-43-40(29-33)35-13-4-7-17-41(35)55-43)32-23-21-30(22-24-32)34-26-27-37(48-47(34)38-14-5-8-18-42(38)56-48)36-16-10-20-45-46(36)39-15-6-9-19-44(39)57-45;1-2-11-34(12-3-1)51-53-43(30-44(54-51)36-14-8-13-35(29-36)37-15-10-28-52-31-37)33-24-22-32(23-25-33)38-26-27-40(50-49(38)41-16-4-6-19-45(41)55-50)39-18-9-21-47-48(39)42-17-5-7-20-46(42)56-47;1-2-12-34(13-3-1)51-53-43(30-44(54-51)38-16-5-4-15-36(38)35-14-11-29-52-31-35)33-25-23-32(24-26-33)37-27-28-40(50-49(37)41-17-6-8-20-45(41)55-50)39-19-10-22-47-48(39)42-18-7-9-21-46(42)56-47/h3*1-29H;2*1-31H
InChIKeyBDHUKWYRPNYIEF-UHFFFAOYSA-N
MW3711.43 g/mol
LogP71.40
Rot. Bonds27
About 2-dibenzofuran-1-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
2-dibenzofuran-1-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine (PubChem CID 157313483) has the molecular formula C255H149N15O8S5 and a molecular weight of 3711.43 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine.
Molecular Properties
| Compound Name | 2-dibenzofuran-1-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine |
|---|---|
| PubChem CID | 157313483 |
| Molecular Formula | C255H149N15O8S5 |
| Molecular Weight | 3711.43 g/mol |
| Exact Mass | 3708.03 |
| IUPAC Name | 2-dibenzofuran-1-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine |
| SMILES | c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)cc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)cc(-c3ccccc3-c3cccnc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)nc(-c3cccc4oc5ccccc5c34)n2)cc1 |
| InChI | InChI=1S/3C51H29N3O2S.2C51H31N3OS/c1-2-12-31(13-3-1)49-52-50(54-51(53-49)40-19-10-18-36-34-14-4-7-20-41(34)55-47(36)40)32-26-24-30(25-27-32)33-28-29-37(48-46(33)38-15-5-8-21-42(38)56-48)35-17-11-23-44-45(35)39-16-6-9-22-43(39)57-44;1-2-12-31(13-3-1)49-52-50(54-51(53-49)39-18-10-21-42-45(39)36-14-4-7-19-40(36)55-42)32-26-24-30(25-27-32)33-28-29-35(48-47(33)37-15-5-8-20-41(37)56-48)34-17-11-23-44-46(34)38-16-6-9-22-43(38)57-44;1-2-11-31(12-3-1)49-52-50(54-51(53-49)33-25-28-43-40(29-33)35-13-4-7-17-41(35)55-43)32-23-21-30(22-24-32)34-26-27-37(48-47(34)38-14-5-8-18-42(38)56-48)36-16-10-20-45-46(36)39-15-6-9-19-44(39)57-45;1-2-11-34(12-3-1)51-53-43(30-44(54-51)36-14-8-13-35(29-36)37-15-10-28-52-31-37)33-24-22-32(23-25-33)38-26-27-40(50-49(38)41-16-4-6-19-45(41)55-50)39-18-9-21-47-48(39)42-17-5-7-20-46(42)56-47;1-2-12-34(13-3-1)51-53-43(30-44(54-51)38-16-5-4-15-36(38)35-14-11-29-52-31-35)33-25-23-32(24-26-33)37-27-28-40(50-49(37)41-17-6-8-20-45(41)55-50)39-19-10-22-47-48(39)42-18-7-9-21-46(42)56-47/h3*1-29H;2*1-31H |
| InChIKey | BDHUKWYRPNYIEF-UHFFFAOYSA-N |
| XLogP | 71.40 |
| TPSA | 298.47 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 283 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3711.43 |
| LogP ≤ 5 | 71.40 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 28 |
Frequently Asked Questions
What is the IUPAC name of 2-dibenzofuran-1-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 2-dibenzofuran-1-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine (CID 157313483) is 2-dibenzofuran-1-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)cc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)cc(-c3ccccc3-c3cccnc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is BDHUKWYRPNYIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C51H29N3O2S.2C51H31N3OS/c1-2-12-31(13-3-1)49-52-50(54-51(53-49)40-19-10-18-36-34-14-4-7-20-41(34)55-47(36)40)32-26-24-30(25-27-32)33-28-29-37(48-46(33)38-15-5-8-21-42(38)56-48)35-17-11-23-44-45(35)39-16-6-9-22-43(39)57-44;1-2-12-31(13-3-1)49-52-50(54-51(53-49)39-18-10-21-42-45(39)36-14-4-7-19-40(36)55-42)32-26-24-30(25-27-32)33-28-29-35(48-47(33)37-15-5-8-20-41(37)56-48)34-17-11-23-44-46(34)38-16-6-9-22-43(38)57-44;1-2-11-31(12-3-1)49-52-50(54-51(53-49)33-25-28-43-40(29-33)35-13-4-7-17-41(35)55-43)32-23-21-30(22-24-32)34-26-27-37(48-47(34)38-14-5-8-18-42(38)56-48)36-16-10-20-45-46(36)39-15-6-9-19-44(39)57-45;1-2-11-34(12-3-1)51-53-43(30-44(54-51)36-14-8-13-35(29-36)37-15-10-28-52-31-37)33-24-22-32(23-25-33)38-26-27-40(50-49(38)41-16-4-6-19-45(41)55-50)39-18-9-21-47-48(39)42-17-5-7-20-46(42)56-47;1-2-12-34(13-3-1)51-53-43(30-44(54-51)38-16-5-4-15-36(38)35-14-11-29-52-31-35)33-25-23-32(24-26-33)37-27-28-40(50-49(37)41-17-6-8-20-45(41)55-50)39-19-10-22-47-48(39)42-18-7-9-21-46(42)56-47/h3*1-29H;2*1-31H.
What are the key properties of 2-dibenzofuran-1-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
2-dibenzofuran-1-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 3711.43 g/mol, XLogP of 71.40, 27 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 157313483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157313483 — identifiers, structure, computed properties (public domain)
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