C170H110N10O3 — CID 159512867
9-(3-carbazol-9-ylphenyl)carbazole;8-[3,6-di(dibenzofuran-2-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;3-(9-phenylcarbazol-3-yl)-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole (PubChem CID 159512867) has the molecular formula C170H110N10O3 and a molecular weight of 2340.82 g/mol. Its IUPAC name is 9-(3-carbazol-9-ylphenyl)carbazole;8-[3,6-di(dibenzofuran-2-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;3-(9-phenylcarbazol-3-yl)-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole.
| Compound Name | 9-(3-carbazol-9-ylphenyl)carbazole;8-[3,6-di(dibenzofuran-2-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;3-(9-phenylcarbazol-3-yl)-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole |
|---|---|
| PubChem CID | 159512867 |
| Molecular Formula | C170H110N10O3 |
| Molecular Weight | 2340.82 g/mol |
| Exact Mass | 2338.88 |
| IUPAC Name | 9-(3-carbazol-9-ylphenyl)carbazole;8-[3,6-di(dibenzofuran-2-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;3-(9-phenylcarbazol-3-yl)-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole |
| SMILES | CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1.c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2nc(-c3ccccc3)c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c(-c3ccccc3)n2)cc1.c1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3cc(-c5ccc6oc7ccccc7c6c5)ccc3n4-c3ccc4oc5cccnc5c4c3)cc12 |
| InChI | InChI=1S/C52H34N4.C47H26N2O3.C41H30N2.C30H20N2/c1-5-17-35(18-6-1)49-51(50(36-19-7-2-8-20-36)54-52(53-49)37-21-9-3-10-22-37)56-46-28-16-14-26-42(46)44-34-39(30-32-48(44)56)38-29-31-47-43(33-38)41-25-13-15-27-45(41)55(47)40-23-11-4-12-24-40;1-3-8-41-32(6-1)36-24-29(13-18-43(36)50-41)27-11-16-39-34(22-27)35-23-28(30-14-19-44-37(25-30)33-7-2-4-9-42(33)51-44)12-17-40(35)49(39)31-15-20-45-38(26-31)47-46(52-45)10-5-21-48-47;1-2-39-42-37-18-10-11-19-38(37)43(39)32-26-24-31(25-27-32)41-35-16-8-6-14-33(35)40(34-15-7-9-17-36(34)41)30-22-20-29(21-23-30)28-12-4-3-5-13-28;1-5-16-27-23(12-1)24-13-2-6-17-28(24)31(27)21-10-9-11-22(20-21)32-29-18-7-3-14-25(29)26-15-4-8-19-30(26)32/h1-34H;1-26H;3-27H,2H2,1H3;1-20H |
| InChIKey | MAVAISDRNFQHKT-UHFFFAOYSA-N |
| XLogP | 45.33 |
| TPSA | 120.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 183 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2340.82 |
| LogP ≤ 5 | 45.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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