C238H148N8S10 — CID 157448144
4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine (PubChem CID 157448144) has the molecular formula C238H148N8S10 and a molecular weight of 3440.53 g/mol. Its IUPAC name is 4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine.
| Compound Name | 4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine |
|---|---|
| PubChem CID | 157448144 |
| Molecular Formula | C238H148N8S10 |
| Molecular Weight | 3440.53 g/mol |
| Exact Mass | 3436.90 |
| IUPAC Name | 4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5cc(-c6ccc7sc8ccccc8c7c6)cc(-c6ccc7sc8ccccc8c7c6)c5)nc(-c5ccccc5)n4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5cc(-c6cccc7c6sc6ccccc67)cc(-c6cccc7c6sc6ccccc67)c5)nc(-c5ccccc5)n4)cc3)cc21.c1ccc(-c2nc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)cc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)cc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)n2)cc1 |
| InChI | InChI=1S/2C61H40N2S2.2C58H34N2S3/c1-61(2)52-23-9-6-16-46(52)47-31-30-40(35-53(47)61)37-26-28-38(29-27-37)54-36-55(63-60(62-54)39-14-4-3-5-15-39)43-33-41(44-19-12-21-50-48-17-7-10-24-56(48)64-58(44)50)32-42(34-43)45-20-13-22-51-49-18-8-11-25-57(49)65-59(45)51;1-61(2)52-17-9-6-14-46(52)47-27-24-42(35-53(47)61)37-20-22-38(23-21-37)54-36-55(63-60(62-54)39-12-4-3-5-13-39)45-31-43(40-25-28-58-50(33-40)48-15-7-10-18-56(48)64-58)30-44(32-45)41-26-29-59-51(34-41)49-16-8-11-19-57(49)65-59;1-2-14-35(15-3-1)58-59-50(37-17-10-16-36(30-37)41-21-11-24-47-44-18-4-7-27-52(44)61-55(41)47)34-51(60-58)40-32-38(42-22-12-25-48-45-19-5-8-28-53(45)62-56(42)48)31-39(33-40)43-23-13-26-49-46-20-6-9-29-54(46)63-57(43)49;1-2-11-35(12-3-1)58-59-50(40-14-10-13-36(27-40)37-21-24-55-47(31-37)44-15-4-7-18-52(44)61-55)34-51(60-58)43-29-41(38-22-25-56-48(32-38)45-16-5-8-19-53(45)62-56)28-42(30-43)39-23-26-57-49(33-39)46-17-6-9-20-54(46)63-57/h2*3-36H,1-2H3;2*1-34H |
| InChIKey | BSLXUBRXOOEHSC-UHFFFAOYSA-N |
| XLogP | 70.21 |
| TPSA | 103.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 256 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3440.53 |
| LogP ≤ 5 | 70.21 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |