C302H182N12S12 — CID 167551235
4-[3,5-di(dibenzothiophen-1-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-1-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-3-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-3-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine (PubChem CID 167551235) has the molecular formula C302H182N12S12 and a molecular weight of 4363.67 g/mol. Its IUPAC name is 4-[3,5-di(dibenzothiophen-1-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-1-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-3-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-3-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine.
| Compound Name | 4-[3,5-di(dibenzothiophen-1-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-1-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-3-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-3-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine |
|---|---|
| PubChem CID | 167551235 |
| Molecular Formula | C302H182N12S12 |
| Molecular Weight | 4363.67 g/mol |
| Exact Mass | 4359.13 |
| IUPAC Name | 4-[3,5-di(dibenzothiophen-1-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-1-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-3-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-3-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine |
| SMILES | c1ccc(-c2ccc(-c3cc(-c4cc(-c5ccc6c(c5)sc5ccccc56)cc(-c5ccc6c(c5)sc5ccccc56)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3cc(-c4ccc5c(c4)sc4ccccc45)cc(-c4ccc5c(c4)sc4ccccc45)c3)cc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)cc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)cc(-c3cccc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3cc(-c4cccc5sc6ccccc6c45)cc(-c4cccc5sc6ccccc6c45)c3)cc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3cc(-c4cccc5sc6ccccc6c45)cc(-c4cccc5sc6ccccc6c45)c3)cc(-c3cccc4ccccc34)n2)cc1 |
| InChI | InChI=1S/C52H32N2S2.5C50H30N2S2/c1-3-11-33(12-4-1)34-19-21-35(22-20-34)46-32-47(54-52(53-46)36-13-5-2-6-14-36)41-28-39(37-23-25-44-42-15-7-9-17-48(42)55-50(44)30-37)27-40(29-41)38-24-26-45-43-16-8-10-18-49(43)56-51(45)31-38;1-2-14-32(15-3-1)50-51-42(30-43(52-50)39-22-10-16-31-13-4-5-17-36(31)39)35-28-33(37-20-11-25-46-48(37)40-18-6-8-23-44(40)53-46)27-34(29-35)38-21-12-26-47-49(38)41-19-7-9-24-45(41)54-47;1-2-13-32(14-3-1)50-51-42(34-25-24-31-12-4-5-15-33(31)26-34)30-43(52-50)37-28-35(38-18-10-22-46-48(38)40-16-6-8-20-44(40)53-46)27-36(29-37)39-19-11-23-47-49(39)41-17-7-9-21-45(41)54-47;1-2-12-32(13-3-1)50-51-44(30-45(52-50)39-18-10-14-31-11-4-5-15-38(31)39)37-26-35(33-21-23-48-42(28-33)40-16-6-8-19-46(40)53-48)25-36(27-37)34-22-24-49-43(29-34)41-17-7-9-20-47(41)54-49;1-2-11-32(12-3-1)50-51-44(36-19-18-31-10-4-5-13-33(31)24-36)30-45(52-50)39-26-37(34-20-22-48-42(28-34)40-14-6-8-16-46(40)53-48)25-38(27-39)35-21-23-49-43(29-35)41-15-7-9-17-47(41)54-49;1-2-11-32(12-3-1)50-51-44(36-19-18-31-10-4-5-13-33(31)24-36)30-45(52-50)39-26-37(34-20-22-42-40-14-6-8-16-46(40)53-48(42)28-34)25-38(27-39)35-21-23-43-41-15-7-9-17-47(41)54-49(43)29-35/h1-32H;5*1-30H |
| InChIKey | CKUBICJXCKIRCA-UHFFFAOYSA-N |
| XLogP | 88.72 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 326 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4363.67 |
| LogP ≤ 5 | 88.72 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |