About 7-dibenzofuran-2-yl-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzofuran-3-yl]pyrido[2,3-f]quinoxaline
7-dibenzofuran-2-yl-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzofuran-3-yl]pyrido[2,3-f]quinoxaline (PubChem CID 134411582) has the molecular formula C52H28N6O2
and a molecular weight of 768.84 g/mol. Its IUPAC name is 7-dibenzofuran-2-yl-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzofuran-3-yl]pyrido[2,3-f]quinoxaline.
Molecular Properties
| Compound Name | 7-dibenzofuran-2-yl-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzofuran-3-yl]pyrido[2,3-f]quinoxaline |
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| PubChem CID | 134411582 |
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| Molecular Formula | C52H28N6O2 |
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| Molecular Weight | 768.84 g/mol |
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| Exact Mass | 768.23 |
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| IUPAC Name | 7-dibenzofuran-2-yl-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzofuran-3-yl]pyrido[2,3-f]quinoxaline |
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| SMILES | c1ccc2c(c1)oc1ccc(-c3ccnc4c3ccc3ncc(-c5ccc6c(c5)oc5ccc(-c7ccc(-c8ccnc9c8ccc8nccnc89)cc7)cc56)nc34)cc12 |
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| InChI | InChI=1S/C52H28N6O2/c1-2-4-45-36(3-1)41-26-32(11-18-46(41)59-45)35-20-22-55-50-39(35)14-16-43-52(50)58-44(28-57-43)33-9-12-37-40-25-31(10-17-47(40)60-48(37)27-33)29-5-7-30(8-6-29)34-19-21-54-49-38(34)13-15-42-51(49)56-24-23-53-42/h1-28H |
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| InChIKey | HMELGIOTGUIAGE-UHFFFAOYSA-N |
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| XLogP | 13.14 |
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| TPSA | 103.62 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 60 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 768.84 |
| LogP ≤ 5 | 13.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 7-dibenzofuran-2-yl-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzofuran-3-yl]pyrido[2,3-f]quinoxaline?
The IUPAC name of 7-dibenzofuran-2-yl-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzofuran-3-yl]pyrido[2,3-f]quinoxaline (CID 134411582) is 7-dibenzofuran-2-yl-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzofuran-3-yl]pyrido[2,3-f]quinoxaline.
What is the SMILES notation for 7-dibenzofuran-2-yl-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzofuran-3-yl]pyrido[2,3-f]quinoxaline?
The canonical SMILES for 7-dibenzofuran-2-yl-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzofuran-3-yl]pyrido[2,3-f]quinoxaline is c1ccc2c(c1)oc1ccc(-c3ccnc4c3ccc3ncc(-c5ccc6c(c5)oc5ccc(-c7ccc(-c8ccnc9c8ccc8nccnc89)cc7)cc56)nc34)cc12.
What is the InChIKey of 7-dibenzofuran-2-yl-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzofuran-3-yl]pyrido[2,3-f]quinoxaline?
The InChIKey is HMELGIOTGUIAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H28N6O2/c1-2-4-45-36(3-1)41-26-32(11-18-46(41)59-45)35-20-22-55-50-39(35)14-16-43-52(50)58-44(28-57-43)33-9-12-37-40-25-31(10-17-47(40)60-48(37)27-33)29-5-7-30(8-6-29)34-19-21-54-49-38(34)13-15-42-51(49)56-24-23-53-42/h1-28H.
What are the key properties of 7-dibenzofuran-2-yl-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzofuran-3-yl]pyrido[2,3-f]quinoxaline?
7-dibenzofuran-2-yl-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzofuran-3-yl]pyrido[2,3-f]quinoxaline has a molecular weight of 768.84 g/mol, XLogP of 13.14, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzofuran-2-yl-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzofuran-3-yl]pyrido[2,3-f]quinoxaline is sourced from PubChem (CID 134411582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).