C286H181N5O10 — CID 159095540
4-[10-[3,5-di(dibenzofuran-4-yl)phenyl]anthracen-9-yl]-N,N-diphenylaniline;6-[3,5-di(dibenzofuran-4-yl)phenyl]-N,N-diphenylnaphthalen-2-amine;4-[4-[3,5-di(dibenzofuran-4-yl)phenyl]naphthalen-1-yl]-N,N-diphenylaniline;6-[3,5-di(dibenzofuran-4-yl)phenyl]-N-naphthalen-2-yl-N-phenylnaphthalen-2-amine;6-[3,5-di(dibenzofuran-4-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 159095540) has the molecular formula C286H181N5O10 and a molecular weight of 3847.62 g/mol. Its IUPAC name is 4-[10-[3,5-di(dibenzofuran-4-yl)phenyl]anthracen-9-yl]-N,N-diphenylaniline;6-[3,5-di(dibenzofuran-4-yl)phenyl]-N,N-diphenylnaphthalen-2-amine;4-[4-[3,5-di(dibenzofuran-4-yl)phenyl]naphthalen-1-yl]-N,N-diphenylaniline;6-[3,5-di(dibenzofuran-4-yl)phenyl]-N-naphthalen-2-yl-N-phenylnaphthalen-2-amine;6-[3,5-di(dibenzofuran-4-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphthalen-2-amine.
| Compound Name | 4-[10-[3,5-di(dibenzofuran-4-yl)phenyl]anthracen-9-yl]-N,N-diphenylaniline;6-[3,5-di(dibenzofuran-4-yl)phenyl]-N,N-diphenylnaphthalen-2-amine;4-[4-[3,5-di(dibenzofuran-4-yl)phenyl]naphthalen-1-yl]-N,N-diphenylaniline;6-[3,5-di(dibenzofuran-4-yl)phenyl]-N-naphthalen-2-yl-N-phenylnaphthalen-2-amine;6-[3,5-di(dibenzofuran-4-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphthalen-2-amine |
|---|---|
| PubChem CID | 159095540 |
| Molecular Formula | C286H181N5O10 |
| Molecular Weight | 3847.62 g/mol |
| Exact Mass | 3844.38 |
| IUPAC Name | 4-[10-[3,5-di(dibenzofuran-4-yl)phenyl]anthracen-9-yl]-N,N-diphenylaniline;6-[3,5-di(dibenzofuran-4-yl)phenyl]-N,N-diphenylnaphthalen-2-amine;4-[4-[3,5-di(dibenzofuran-4-yl)phenyl]naphthalen-1-yl]-N,N-diphenylaniline;6-[3,5-di(dibenzofuran-4-yl)phenyl]-N-naphthalen-2-yl-N-phenylnaphthalen-2-amine;6-[3,5-di(dibenzofuran-4-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphthalen-2-amine |
| SMILES | c1ccc(-c2ccc(N(c3ccccc3)c3ccc4cc(-c5cc(-c6cccc7c6oc6ccccc67)cc(-c6cccc7c6oc6ccccc67)c5)ccc4c3)cc2)cc1.c1ccc(N(c2ccc3ccccc3c2)c2ccc3cc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)ccc3c2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)c4ccccc34)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)c4ccccc34)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3cc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)ccc3c2)cc1 |
| InChI | InChI=1S/C62H39NO2.2C58H37NO2.C56H35NO2.C52H33NO2/c1-3-17-44(18-4-1)63(45-19-5-2-6-20-45)46-35-33-40(34-36-46)59-51-23-7-9-25-53(51)60(54-26-10-8-24-52(54)59)43-38-41(47-27-15-29-55-49-21-11-13-31-57(49)64-61(47)55)37-42(39-43)48-28-16-30-56-50-22-12-14-32-58(50)65-62(48)56;1-3-13-38(14-4-1)39-27-30-47(31-28-39)59(46-15-5-2-6-16-46)48-32-29-40-33-41(25-26-42(40)37-48)43-34-44(49-19-11-21-53-51-17-7-9-23-55(51)60-57(49)53)36-45(35-43)50-20-12-22-54-52-18-8-10-24-56(52)61-58(50)54;1-3-15-42(16-4-1)59(43-17-5-2-6-18-43)44-31-29-38(30-32-44)45-33-34-46(50-20-8-7-19-49(45)50)39-35-40(47-23-13-25-53-51-21-9-11-27-55(51)60-57(47)53)37-41(36-39)48-24-14-26-54-52-22-10-12-28-56(52)61-58(48)54;1-2-14-44(15-3-1)57(45-28-26-36-12-4-5-13-37(36)34-45)46-29-27-38-30-39(24-25-40(38)35-46)41-31-42(47-18-10-20-51-49-16-6-8-22-53(49)58-55(47)51)33-43(32-41)48-19-11-21-52-50-17-7-9-23-54(50)59-56(48)52;1-3-13-40(14-4-1)53(41-15-5-2-6-16-41)42-28-27-34-29-35(25-26-36(34)33-42)37-30-38(43-19-11-21-47-45-17-7-9-23-49(45)54-51(43)47)32-39(31-37)44-20-12-22-48-46-18-8-10-24-50(46)55-52(44)48/h1-39H;2*1-37H;1-35H;1-33H |
| InChIKey | KCPSDYKELNPUJD-UHFFFAOYSA-N |
| XLogP | 82.85 |
| TPSA | 147.60 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 301 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3847.62 |
| LogP ≤ 5 | 82.85 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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