About 3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)carbazole
3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)carbazole (PubChem CID 118098969) has the molecular formula C57H35NO3
and a molecular weight of 781.91 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)carbazole.
Molecular Properties
| Compound Name | 3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)carbazole |
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| PubChem CID | 118098969 |
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| Molecular Formula | C57H35NO3 |
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| Molecular Weight | 781.91 g/mol |
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| Exact Mass | 781.26 |
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| IUPAC Name | 3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)carbazole |
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| SMILES | CC1(C)c2cc(-n3c4ccc(-c5ccc6oc7ccccc7c6c5)cc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)ccc2-c2c1ccc1c2oc2ccccc21 |
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| InChI | InChI=1S/C57H35NO3/c1-57(2)46-24-23-41-38-11-4-8-17-52(38)61-56(41)54(46)42-22-21-35(31-47(42)57)58-48-25-18-32(33-20-27-53-45(29-33)39-12-5-6-15-50(39)59-53)28-43(48)44-30-34(19-26-49(44)58)36-13-9-14-40-37-10-3-7-16-51(37)60-55(36)40/h3-31H,1-2H3 |
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| InChIKey | RCMHXUIESDAETJ-UHFFFAOYSA-N |
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| XLogP | 16.12 |
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| TPSA | 44.35 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 61 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 781.91 |
| LogP ≤ 5 | 16.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)carbazole?
The IUPAC name of 3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)carbazole (CID 118098969) is 3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)carbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)carbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)carbazole is CC1(C)c2cc(-n3c4ccc(-c5ccc6oc7ccccc7c6c5)cc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)ccc2-c2c1ccc1c2oc2ccccc21.
What is the InChIKey of 3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)carbazole?
The InChIKey is RCMHXUIESDAETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35NO3/c1-57(2)46-24-23-41-38-11-4-8-17-52(38)61-56(41)54(46)42-22-21-35(31-47(42)57)58-48-25-18-32(33-20-27-53-45(29-33)39-12-5-6-15-50(39)59-53)28-43(48)44-30-34(19-26-49(44)58)36-13-9-14-40-37-10-3-7-16-51(37)60-55(36)40/h3-31H,1-2H3.
What are the key properties of 3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)carbazole?
3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)carbazole has a molecular weight of 781.91 g/mol, XLogP of 16.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)carbazole is sourced from PubChem (CID 118098969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).