About [8-bis(2-formylphenoxy)phosphanyloxy-9-hydroxyanthracen-1-yl] (2-formylphenyl) (2-methoxyphenyl) phosphite
[8-bis(2-formylphenoxy)phosphanyloxy-9-hydroxyanthracen-1-yl] (2-formylphenyl) (2-methoxyphenyl) phosphite (PubChem CID 91203679) has the molecular formula C42H30O11P2
and a molecular weight of 772.64 g/mol. Its IUPAC name is [8-bis(2-formylphenoxy)phosphanyloxy-9-hydroxyanthracen-1-yl] (2-formylphenyl) (2-methoxyphenyl) phosphite.
Molecular Properties
| Compound Name | [8-bis(2-formylphenoxy)phosphanyloxy-9-hydroxyanthracen-1-yl] (2-formylphenyl) (2-methoxyphenyl) phosphite |
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| PubChem CID | 91203679 |
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| Molecular Formula | C42H30O11P2 |
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| Molecular Weight | 772.64 g/mol |
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| Exact Mass | 772.13 |
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| IUPAC Name | [8-bis(2-formylphenoxy)phosphanyloxy-9-hydroxyanthracen-1-yl] (2-formylphenyl) (2-methoxyphenyl) phosphite |
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| SMILES | COc1ccccc1OP(Oc1ccccc1C=O)Oc1cccc2cc3cccc(OP(Oc4ccccc4C=O)Oc4ccccc4C=O)c3c(O)c12 |
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| InChI | InChI=1S/C42H30O11P2/c1-47-36-20-8-9-21-37(36)51-55(50-35-19-7-4-14-32(35)27-45)53-39-23-11-16-29-24-28-15-10-22-38(40(28)42(46)41(29)39)52-54(48-33-17-5-2-12-30(33)25-43)49-34-18-6-3-13-31(34)26-44/h2-27,46H,1H3 |
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| InChIKey | AQTPMERLZFQMRV-UHFFFAOYSA-N |
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| XLogP | 10.67 |
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| TPSA | 136.05 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 16 |
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| Heavy Atoms | 55 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 772.64 |
| LogP ≤ 5 | 10.67 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 11 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [8-bis(2-formylphenoxy)phosphanyloxy-9-hydroxyanthracen-1-yl] (2-formylphenyl) (2-methoxyphenyl) phosphite?
The IUPAC name of [8-bis(2-formylphenoxy)phosphanyloxy-9-hydroxyanthracen-1-yl] (2-formylphenyl) (2-methoxyphenyl) phosphite (CID 91203679) is [8-bis(2-formylphenoxy)phosphanyloxy-9-hydroxyanthracen-1-yl] (2-formylphenyl) (2-methoxyphenyl) phosphite.
What is the SMILES notation for [8-bis(2-formylphenoxy)phosphanyloxy-9-hydroxyanthracen-1-yl] (2-formylphenyl) (2-methoxyphenyl) phosphite?
The canonical SMILES for [8-bis(2-formylphenoxy)phosphanyloxy-9-hydroxyanthracen-1-yl] (2-formylphenyl) (2-methoxyphenyl) phosphite is COc1ccccc1OP(Oc1ccccc1C=O)Oc1cccc2cc3cccc(OP(Oc4ccccc4C=O)Oc4ccccc4C=O)c3c(O)c12.
What is the InChIKey of [8-bis(2-formylphenoxy)phosphanyloxy-9-hydroxyanthracen-1-yl] (2-formylphenyl) (2-methoxyphenyl) phosphite?
The InChIKey is AQTPMERLZFQMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30O11P2/c1-47-36-20-8-9-21-37(36)51-55(50-35-19-7-4-14-32(35)27-45)53-39-23-11-16-29-24-28-15-10-22-38(40(28)42(46)41(29)39)52-54(48-33-17-5-2-12-30(33)25-43)49-34-18-6-3-13-31(34)26-44/h2-27,46H,1H3.
What are the key properties of [8-bis(2-formylphenoxy)phosphanyloxy-9-hydroxyanthracen-1-yl] (2-formylphenyl) (2-methoxyphenyl) phosphite?
[8-bis(2-formylphenoxy)phosphanyloxy-9-hydroxyanthracen-1-yl] (2-formylphenyl) (2-methoxyphenyl) phosphite has a molecular weight of 772.64 g/mol, XLogP of 10.67, 16 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [8-bis(2-formylphenoxy)phosphanyloxy-9-hydroxyanthracen-1-yl] (2-formylphenyl) (2-methoxyphenyl) phosphite is sourced from PubChem (CID 91203679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).