C152H97N3O6 — CID 160762815
4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 160762815) has the molecular formula C152H97N3O6 and a molecular weight of 2061.46 g/mol. Its IUPAC name is 4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine.
| Compound Name | 4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine |
|---|---|
| PubChem CID | 160762815 |
| Molecular Formula | C152H97N3O6 |
| Molecular Weight | 2061.46 g/mol |
| Exact Mass | 2059.74 |
| IUPAC Name | 4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine |
| SMILES | c1ccc(N(c2ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)cc2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)cc2)cc1 |
| InChI | InChI=1S/2C52H33NO2.C48H31NO2/c1-2-13-41(14-3-1)53(48-18-10-12-35-11-4-5-15-43(35)48)42-25-21-34(22-26-42)38-29-39(36-23-27-51-46(32-36)44-16-6-8-19-49(44)54-51)31-40(30-38)37-24-28-52-47(33-37)45-17-7-9-20-50(45)55-52;1-2-12-42(13-3-1)53(44-25-20-34-10-4-5-11-36(34)31-44)43-23-18-35(19-24-43)39-28-40(37-21-26-51-47(32-37)45-14-6-8-16-49(45)54-51)30-41(29-39)38-22-27-52-48(33-38)46-15-7-9-17-50(46)55-52;1-3-11-38(12-4-1)49(39-13-5-2-6-14-39)40-23-19-32(20-24-40)35-27-36(33-21-25-47-43(30-33)41-15-7-9-17-45(41)50-47)29-37(28-35)34-22-26-48-44(31-34)42-16-8-10-18-46(42)51-48/h2*1-33H;1-31H |
| InChIKey | RYHDUPGMZKONTB-UHFFFAOYSA-N |
| XLogP | 44.17 |
| TPSA | 88.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 161 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2061.46 |
| LogP ≤ 5 | 44.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |