C156H97N3O3 — CID 158195291
9-[3-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;3-[3-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]-9-phenylcarbazole (PubChem CID 158195291) has the molecular formula C156H97N3O3 and a molecular weight of 2061.51 g/mol. Its IUPAC name is 9-[3-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;3-[3-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]-9-phenylcarbazole.
| Compound Name | 9-[3-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;3-[3-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]-9-phenylcarbazole |
|---|---|
| PubChem CID | 158195291 |
| Molecular Formula | C156H97N3O3 |
| Molecular Weight | 2061.51 g/mol |
| Exact Mass | 2059.75 |
| IUPAC Name | 9-[3-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;3-[3-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]-9-phenylcarbazole |
| SMILES | c1cc(-c2c3ccccc3c(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccccc23)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2c3ccccc3c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3ccccc23)cc(-c2cccc3c2oc2ccccc23)c1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5c6ccccc6c(-c6cccc(-c7ccc8oc9ccccc9c8c7)c6)c6ccccc56)c4)ccc32)cc1 |
| InChI | InChI=1S/C56H35NO.2C50H31NO/c1-2-18-42(19-3-1)57-51-26-10-8-20-43(51)49-34-38(28-30-52(49)57)36-14-12-16-40(32-36)55-45-22-4-6-24-47(45)56(48-25-7-5-23-46(48)55)41-17-13-15-37(33-41)39-29-31-54-50(35-39)44-21-9-11-27-53(44)58-54;1-3-23-42-40(21-1)48(33-15-11-14-32(30-33)36-25-13-26-44-39-20-7-10-29-47(39)52-50(36)44)41-22-2-4-24-43(41)49(42)34-16-12-17-35(31-34)51-45-27-8-5-18-37(45)38-19-6-9-28-46(38)51;1-3-20-42-40(18-1)48(33-29-27-32(28-30-33)36-22-12-23-44-39-17-7-10-26-47(39)52-50(36)44)41-19-2-4-21-43(41)49(42)34-13-11-14-35(31-34)51-45-24-8-5-15-37(45)38-16-6-9-25-46(38)51/h1-35H;2*1-31H |
| InChIKey | GAGQDCDIBUZLQG-UHFFFAOYSA-N |
| XLogP | 43.64 |
| TPSA | 54.21 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 162 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2061.51 |
| LogP ≤ 5 | 43.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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