C278H182N10O5 — CID 158921700
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[3-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 158921700) has the molecular formula C278H182N10O5 and a molecular weight of 3742.58 g/mol. Its IUPAC name is 2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[3-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine.
| Compound Name | 2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[3-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine |
|---|---|
| PubChem CID | 158921700 |
| Molecular Formula | C278H182N10O5 |
| Molecular Weight | 3742.58 g/mol |
| Exact Mass | 3739.43 |
| IUPAC Name | 2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[3-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc(-c5cccc(-c6nc(-c7cccc(-c8ccccc8)c7)c7oc8ccccc8c7n6)c5)cc4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc(-c5cccc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)c5)cc4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5ccc(-c6nc(-c7cccc(-c8ccccc8)c7)c7oc8ccccc8c7n6)cc5)c4)c3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5nc(-c6cccc(-c7ccccc7)c6)c6oc7ccccc7c6n5)c4)c3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5nc(-c6ccccc6)c6oc7ccccc7c6n5)c4)c3)c2)cc1 |
| InChI | InChI=1S/3C58H38N2O.2C52H34N2O/c1-4-16-39(17-5-1)42-22-12-25-45(32-42)50-36-51(46-26-13-23-43(33-46)40-18-6-2-7-19-40)38-52(37-50)47-27-15-29-49(35-47)58-59-55(57-56(60-58)53-30-10-11-31-54(53)61-57)48-28-14-24-44(34-48)41-20-8-3-9-21-41;1-4-15-39(16-5-1)45-22-14-26-49(35-45)55-57-56(53-27-10-11-28-54(53)61-57)60-58(59-55)43-31-29-42(30-32-43)44-21-12-23-46(33-44)47-24-13-25-48(34-47)52-37-50(40-17-6-2-7-18-40)36-51(38-52)41-19-8-3-9-20-41;1-4-15-39(16-5-1)45-22-13-25-48(34-45)55-57-56(53-27-10-11-28-54(53)61-57)60-58(59-55)49-26-14-23-46(35-49)43-31-29-42(30-32-43)44-21-12-24-47(33-44)52-37-50(40-17-6-2-7-18-40)36-51(38-52)41-19-8-3-9-20-41;1-4-15-35(16-5-1)38-21-12-23-40(29-38)44-32-45(41-24-13-22-39(30-41)36-17-6-2-7-18-36)34-46(33-44)42-25-14-26-43(31-42)52-53-49(37-19-8-3-9-20-37)51-50(54-52)47-27-10-11-28-48(47)55-51;1-4-14-35(15-5-1)44-32-45(36-16-6-2-7-17-36)34-46(33-44)42-22-12-20-40(30-42)37-26-28-38(29-27-37)41-21-13-23-43(31-41)52-53-49(39-18-8-3-9-19-39)51-50(54-52)47-24-10-11-25-48(47)55-51/h3*1-38H;2*1-34H |
| InChIKey | JHXKJJYIKDUHAJ-UHFFFAOYSA-N |
| XLogP | 75.23 |
| TPSA | 194.60 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 293 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3742.58 |
| LogP ≤ 5 | 75.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |