About (8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite
(8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite (PubChem CID 58931698) has the molecular formula C54H34O8P2
and a molecular weight of 872.81 g/mol. Its IUPAC name is (8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite.
Molecular Properties
| Compound Name | (8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite |
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| PubChem CID | 58931698 |
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| Molecular Formula | C54H34O8P2 |
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| Molecular Weight | 872.81 g/mol |
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| Exact Mass | 872.17 |
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| IUPAC Name | (8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite |
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| SMILES | O=C1c2cccc(OP(Oc3ccc4ccccc4c3)Oc3ccc4ccccc4c3)c2C(=O)c2c(OP(Oc3ccc4ccccc4c3)Oc3ccc4ccccc4c3)cccc21 |
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| InChI | InChI=1S/C54H34O8P2/c55-53-47-19-9-21-49(61-63(57-43-27-23-35-11-1-5-15-39(35)31-43)58-44-28-24-36-12-2-6-16-40(36)32-44)51(47)54(56)52-48(53)20-10-22-50(52)62-64(59-45-29-25-37-13-3-7-17-41(37)33-45)60-46-30-26-38-14-4-8-18-42(38)34-46/h1-34H |
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| InChIKey | HMIDTDLKZFBUQB-UHFFFAOYSA-N |
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| XLogP | 14.60 |
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| TPSA | 89.52 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 64 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 872.81 |
| LogP ≤ 5 | 14.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite?
The IUPAC name of (8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite (CID 58931698) is (8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite.
What is the SMILES notation for (8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite?
The canonical SMILES for (8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite is O=C1c2cccc(OP(Oc3ccc4ccccc4c3)Oc3ccc4ccccc4c3)c2C(=O)c2c(OP(Oc3ccc4ccccc4c3)Oc3ccc4ccccc4c3)cccc21.
What is the InChIKey of (8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite?
The InChIKey is HMIDTDLKZFBUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34O8P2/c55-53-47-19-9-21-49(61-63(57-43-27-23-35-11-1-5-15-39(35)31-43)58-44-28-24-36-12-2-6-16-40(36)32-44)51(47)54(56)52-48(53)20-10-22-50(52)62-64(59-45-29-25-37-13-3-7-17-41(37)33-45)60-46-30-26-38-14-4-8-18-42(38)34-46/h1-34H.
What are the key properties of (8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite?
(8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite has a molecular weight of 872.81 g/mol, XLogP of 14.60, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite is sourced from PubChem (CID 58931698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).