About 5-[4-[9-[4-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]-2-phenylisoindole-1,3-dione
5-[4-[9-[4-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]-2-phenylisoindole-1,3-dione (PubChem CID 23382615) has the molecular formula C53H32N2O6
and a molecular weight of 792.85 g/mol. Its IUPAC name is 5-[4-[9-[4-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]-2-phenylisoindole-1,3-dione.
Molecular Properties
| Compound Name | 5-[4-[9-[4-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]-2-phenylisoindole-1,3-dione |
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| PubChem CID | 23382615 |
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| Molecular Formula | C53H32N2O6 |
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| Molecular Weight | 792.85 g/mol |
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| Exact Mass | 792.23 |
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| IUPAC Name | 5-[4-[9-[4-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]-2-phenylisoindole-1,3-dione |
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| SMILES | O=C1c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc7c(c6)C(=O)N(c6ccccc6)C7=O)cc5)c5ccccc5-c5ccccc54)cc3)cc2C(=O)N1c1ccccc1 |
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| InChI | InChI=1S/C53H32N2O6/c56-49-43-29-27-39(31-45(43)51(58)54(49)35-11-3-1-4-12-35)60-37-23-19-33(20-24-37)53(47-17-9-7-15-41(47)42-16-8-10-18-48(42)53)34-21-25-38(26-22-34)61-40-28-30-44-46(32-40)52(59)55(50(44)57)36-13-5-2-6-14-36/h1-32H |
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| InChIKey | UXAFVOAZLGEBCH-UHFFFAOYSA-N |
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| XLogP | 11.24 |
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| TPSA | 93.22 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 61 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 792.85 |
| LogP ≤ 5 | 11.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 5-[4-[9-[4-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]-2-phenylisoindole-1,3-dione?
The IUPAC name of 5-[4-[9-[4-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]-2-phenylisoindole-1,3-dione (CID 23382615) is 5-[4-[9-[4-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]-2-phenylisoindole-1,3-dione.
What is the SMILES notation for 5-[4-[9-[4-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]-2-phenylisoindole-1,3-dione?
The canonical SMILES for 5-[4-[9-[4-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]-2-phenylisoindole-1,3-dione is O=C1c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc7c(c6)C(=O)N(c6ccccc6)C7=O)cc5)c5ccccc5-c5ccccc54)cc3)cc2C(=O)N1c1ccccc1.
What is the InChIKey of 5-[4-[9-[4-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]-2-phenylisoindole-1,3-dione?
The InChIKey is UXAFVOAZLGEBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2O6/c56-49-43-29-27-39(31-45(43)51(58)54(49)35-11-3-1-4-12-35)60-37-23-19-33(20-24-37)53(47-17-9-7-15-41(47)42-16-8-10-18-48(42)53)34-21-25-38(26-22-34)61-40-28-30-44-46(32-40)52(59)55(50(44)57)36-13-5-2-6-14-36/h1-32H.
What are the key properties of 5-[4-[9-[4-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]-2-phenylisoindole-1,3-dione?
5-[4-[9-[4-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]-2-phenylisoindole-1,3-dione has a molecular weight of 792.85 g/mol, XLogP of 11.24, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[9-[4-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]-2-phenylisoindole-1,3-dione is sourced from PubChem (CID 23382615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).