C182H118N6O3 — CID 159843881
3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline;3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(3-phenanthren-9-ylphenyl)aniline;N-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-2-phenanthren-9-ylaniline (PubChem CID 159843881) has the molecular formula C182H118N6O3 and a molecular weight of 2436.98 g/mol. Its IUPAC name is 3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline;3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(3-phenanthren-9-ylphenyl)aniline;N-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-2-phenanthren-9-ylaniline.
| Compound Name | 3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline;3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(3-phenanthren-9-ylphenyl)aniline;N-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-2-phenanthren-9-ylaniline |
|---|---|
| PubChem CID | 159843881 |
| Molecular Formula | C182H118N6O3 |
| Molecular Weight | 2436.98 g/mol |
| Exact Mass | 2434.93 |
| IUPAC Name | 3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline;3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(3-phenanthren-9-ylphenyl)aniline;N-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-2-phenanthren-9-ylaniline |
| SMILES | c1cc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc(-c3cccc4c3oc3ccccc34)c2)c1.c1cc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc(N(c2cccc(-c3cc4ccccc4c4ccccc34)c2)c2cccc(-c3cccc4c3oc3ccccc34)c2)c1.c1cc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc(N(c2cccc(-c3cccc4c3oc3ccccc34)c2)c2ccccc2-c2cc3ccccc3c3ccccc23)c1 |
| InChI | InChI=1S/2C62H40N2O.C58H38N2O/c1-2-23-46-43(18-1)40-56(50-26-4-3-25-49(46)50)53-29-8-11-34-58(53)63(45-22-16-20-42(39-45)48-31-17-32-55-54-30-9-14-37-61(54)65-62(48)55)44-21-15-19-41(38-44)47-24-5-10-33-57(47)64-59-35-12-6-27-51(59)52-28-7-13-36-60(52)64;1-2-24-48-44(17-1)40-57(52-27-4-3-26-51(48)52)43-20-15-23-47(39-43)63(46-22-14-19-42(38-46)50-31-16-32-56-55-30-8-12-36-61(55)65-62(50)56)45-21-13-18-41(37-45)49-25-5-9-33-58(49)64-59-34-10-6-28-53(59)54-29-7-11-35-60(54)64;1-2-15-41-36-42(31-30-39(41)14-1)40-32-34-45(35-33-40)59(47-19-12-17-44(38-47)49-24-13-25-53-52-23-6-10-29-57(52)61-58(49)53)46-18-11-16-43(37-46)48-20-3-7-26-54(48)60-55-27-8-4-21-50(55)51-22-5-9-28-56(51)60/h2*1-40H;1-38H |
| InChIKey | NPARBNMCBZOXEX-UHFFFAOYSA-N |
| XLogP | 51.23 |
| TPSA | 63.93 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 191 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2436.98 |
| LogP ≤ 5 | 51.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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