C210H136N4O4 — CID 160906308
N-(2,4-diphenylphenyl)-N-tetraphenylen-2-yldibenzofuran-2-amine;N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzofuran-2-amine;N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-4-amine (PubChem CID 160906308) has the molecular formula C210H136N4O4 and a molecular weight of 2779.42 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-N-tetraphenylen-2-yldibenzofuran-2-amine;N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzofuran-2-amine;N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-4-amine.
| Compound Name | N-(2,4-diphenylphenyl)-N-tetraphenylen-2-yldibenzofuran-2-amine;N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzofuran-2-amine;N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-4-amine |
|---|---|
| PubChem CID | 160906308 |
| Molecular Formula | C210H136N4O4 |
| Molecular Weight | 2779.42 g/mol |
| Exact Mass | 2777.06 |
| IUPAC Name | N-(2,4-diphenylphenyl)-N-tetraphenylen-2-yldibenzofuran-2-amine;N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzofuran-2-amine;N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-4-amine |
| SMILES | c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4-c4ccccc4-c4ccccc4-5)c4ccc5oc6ccccc6c5c4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4-c4ccccc4-c4ccccc4-5)c4cccc5c4oc4ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccc4oc5ccccc5c4c3)c(-c3ccccc3)c2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3cccc4c3oc3ccccc34)cc2)cc1 |
| InChI | InChI=1S/3C54H35NO.C48H31NO/c1-3-15-36(16-4-1)38-27-31-52(49(33-38)37-17-5-2-6-18-37)55(40-29-32-54-51(35-40)48-25-13-14-26-53(48)56-54)39-28-30-47-45-23-10-9-21-43(45)41-19-7-8-20-42(41)44-22-11-12-24-46(44)50(47)34-39;1-2-13-36(14-3-1)37-25-27-38(28-26-37)39-29-31-40(32-30-39)55(52-23-12-22-50-49-21-10-11-24-53(49)56-54(50)52)41-33-34-48-46-19-7-6-17-44(46)42-15-4-5-16-43(42)45-18-8-9-20-47(45)51(48)35-41;1-2-12-36(13-3-1)37-22-24-38(25-23-37)39-26-28-40(29-27-39)55(42-31-33-54-52(35-42)50-20-10-11-21-53(50)56-54)41-30-32-49-47-18-7-6-16-45(47)43-14-4-5-15-44(43)46-17-8-9-19-48(46)51(49)34-41;1-2-13-32(14-3-1)33-25-27-34(28-26-33)49(46-23-12-22-44-43-21-10-11-24-47(43)50-48(44)46)35-29-30-42-40-19-7-6-17-38(40)36-15-4-5-16-37(36)39-18-8-9-20-41(39)45(42)31-35/h3*1-35H;1-31H/b43-41-,44-42-,47-45-,50-46-;44-42-,45-43-,48-46-,51-47-;45-43-,46-44-,49-47-,51-48-;38-36-,39-37-,42-40-,45-41- |
| InChIKey | SQELMBVWRZPLCX-LOLHKZHTSA-N |
| XLogP | 59.82 |
| TPSA | 65.52 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 218 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2779.42 |
| LogP ≤ 5 | 59.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |