C297H203N11 — CID 159959280
2,4-bis[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-6-phenylpyrimidine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]pyridine;4-phenyl-2,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[3-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[3-[3-(2-pyridin-2-ylphenyl)phenyl]phenyl]pyrimidine (PubChem CID 159959280) has the molecular formula C297H203N11 and a molecular weight of 3925.97 g/mol. Its IUPAC name is 2,4-bis[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-6-phenylpyrimidine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]pyridine;4-phenyl-2,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[3-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[3-[3-(2-pyridin-2-ylphenyl)phenyl]phenyl]pyrimidine.
| Compound Name | 2,4-bis[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-6-phenylpyrimidine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]pyridine;4-phenyl-2,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[3-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[3-[3-(2-pyridin-2-ylphenyl)phenyl]phenyl]pyrimidine |
|---|---|
| PubChem CID | 159959280 |
| Molecular Formula | C297H203N11 |
| Molecular Weight | 3925.97 g/mol |
| Exact Mass | 3922.62 |
| IUPAC Name | 2,4-bis[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-6-phenylpyrimidine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]pyridine;4-phenyl-2,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[3-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[3-[3-(2-pyridin-2-ylphenyl)phenyl]phenyl]pyrimidine |
| SMILES | c1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccc(-c6cccc7ccccc67)cc5)c4)c3)nc(-c3cccc(-c4cccc(-c5ccc(-c6cccc7ccccc67)cc5)c4)c3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccccc5-c5ccccn5)c4)c3)nc(-c3cccc(-c4cccc(-c5ccccc5-c5ccccn5)c4)c3)n2)cc1.c1ccc(-c2cccc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5)nc(-c5ccccc5-c5ccc(-c6cccc(-c7ccccc7)c6)cc5)n4)cc3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6cccc(-c7cccc(-c8cccc(-c9ccccc9)c8)c7)c6)n5)c4)c3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4ccccc4-c4cc(-c5ccccc5)nc(-c5ccccc5-c5cccc(-c6cccc(-c7ccccc7)c6)c5)c4)c3)c2)cc1 |
| InChI | InChI=1S/C66H44N2.C59H41N.2C58H40N2.C56H38N4/c1-2-16-51(17-3-1)64-44-65(58-26-10-24-56(42-58)54-22-8-20-52(40-54)45-32-36-49(37-33-45)62-30-12-18-47-14-4-6-28-60(47)62)68-66(67-64)59-27-11-25-57(43-59)55-23-9-21-53(41-55)46-34-38-50(39-35-46)63-31-13-19-48-15-5-7-29-61(48)63;1-4-18-42(19-5-1)45-24-14-26-47(36-45)49-28-16-30-51(38-49)54-32-10-11-34-56(54)53-40-58(44-22-8-3-9-23-44)60-59(41-53)57-35-13-12-33-55(57)52-31-17-29-50(39-52)48-27-15-25-46(37-48)43-20-6-2-7-21-43;1-4-16-41(17-5-1)44-22-10-24-46(34-44)48-26-12-28-50(36-48)52-30-14-32-54(38-52)57-40-56(43-20-8-3-9-21-43)59-58(60-57)55-33-15-31-53(39-55)51-29-13-27-49(37-51)47-25-11-23-45(35-47)42-18-6-2-7-19-42;1-4-16-41(17-5-1)48-22-14-24-50(38-48)43-30-34-45(35-31-43)52-26-10-12-28-54(52)57-40-56(47-20-8-3-9-21-47)59-58(60-57)55-29-13-11-27-53(55)46-36-32-44(33-37-46)51-25-15-23-49(39-51)42-18-6-2-7-19-42;1-2-16-39(17-3-1)54-38-55(46-24-14-20-42(36-46)40-18-12-22-44(34-40)48-26-4-6-28-50(48)52-30-8-10-32-57-52)60-56(59-54)47-25-15-21-43(37-47)41-19-13-23-45(35-41)49-27-5-7-29-51(49)53-31-9-11-33-58-53/h1-44H;1-41H;2*1-40H;1-38H |
| InChIKey | ODCQCJXRWARTTG-UHFFFAOYSA-N |
| XLogP | 79.10 |
| TPSA | 141.79 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 308 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3925.97 |
| LogP ≤ 5 | 79.10 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |