C130H78N2O4 — CID 159175658
3-dibenzofuran-2-yl-9-[3-(10-phenylanthracen-9-yl)phenyl]-6-(8-phenyldibenzofuran-2-yl)carbazole;3,6-di(dibenzofuran-2-yl)-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole (PubChem CID 159175658) has the molecular formula C130H78N2O4 and a molecular weight of 1732.06 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-[3-(10-phenylanthracen-9-yl)phenyl]-6-(8-phenyldibenzofuran-2-yl)carbazole;3,6-di(dibenzofuran-2-yl)-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole.
| Compound Name | 3-dibenzofuran-2-yl-9-[3-(10-phenylanthracen-9-yl)phenyl]-6-(8-phenyldibenzofuran-2-yl)carbazole;3,6-di(dibenzofuran-2-yl)-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 159175658 |
| Molecular Formula | C130H78N2O4 |
| Molecular Weight | 1732.06 g/mol |
| Exact Mass | 1730.60 |
| IUPAC Name | 3-dibenzofuran-2-yl-9-[3-(10-phenylanthracen-9-yl)phenyl]-6-(8-phenyldibenzofuran-2-yl)carbazole;3,6-di(dibenzofuran-2-yl)-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole |
| SMILES | c1ccc(-c2c3ccccc3c(-c3cccc(-n4c5ccc(-c6ccc7oc8ccccc8c7c6)cc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)c3)c3ccccc23)cc1.c1ccc(-c2ccc3oc4ccc(-c5ccc6c(c5)c5cc(-c7ccc8oc9ccccc9c8c7)ccc5n6-c5cccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)c5)cc4c3c2)cc1 |
| InChI | InChI=1S/C68H41NO2.C62H37NO2/c1-3-14-42(15-4-1)44-28-33-65-59(39-44)60-41-48(30-35-66(60)71-65)46-27-32-62-57(38-46)56-37-45(47-29-34-64-58(40-47)51-20-11-12-25-63(51)70-64)26-31-61(56)69(62)50-19-13-18-49(36-50)68-54-23-9-7-21-52(54)67(43-16-5-2-6-17-43)53-22-8-10-24-55(53)68;1-2-13-38(14-3-1)61-47-19-4-6-21-49(47)62(50-22-7-5-20-48(50)61)43-15-12-16-44(33-43)63-55-29-25-39(41-27-31-59-53(36-41)45-17-8-10-23-57(45)64-59)34-51(55)52-35-40(26-30-56(52)63)42-28-32-60-54(37-42)46-18-9-11-24-58(46)65-60/h1-41H;1-37H |
| InChIKey | KMFXEGCZOFNABK-UHFFFAOYSA-N |
| XLogP | 36.78 |
| TPSA | 62.42 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 136 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1732.06 |
| LogP ≤ 5 | 36.78 |
| 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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