About [5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
[5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane (PubChem CID 160884923) has the molecular formula C48H39O4P
and a molecular weight of 710.81 g/mol. Its IUPAC name is [5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane.
Molecular Properties
| Compound Name | [5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane |
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| PubChem CID | 160884923 |
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| Molecular Formula | C48H39O4P |
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| Molecular Weight | 710.81 g/mol |
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| Exact Mass | 710.26 |
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| IUPAC Name | [5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane |
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| SMILES | COc1ccc(-c2cccc3c(-c4c(P(c5ccccc5)c5ccccc5)ccc5c(-c6ccc(OC)c(OC)c6)cccc45)cccc23)cc1OC |
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| InChI | InChI=1S/C48H39O4P/c1-49-43-27-24-32(30-45(43)51-3)36-18-11-21-39-38(36)20-13-23-41(39)48-42-22-12-19-37(33-25-28-44(50-2)46(31-33)52-4)40(42)26-29-47(48)53(34-14-7-5-8-15-34)35-16-9-6-10-17-35/h5-31H,1-4H3 |
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| InChIKey | SNMZHZWUVMPUSJ-UHFFFAOYSA-N |
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| XLogP | 10.79 |
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| TPSA | 36.92 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 53 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 710.81 |
| LogP ≤ 5 | 10.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
The IUPAC name of [5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane (CID 160884923) is [5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane.
What is the SMILES notation for [5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
The canonical SMILES for [5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane is COc1ccc(-c2cccc3c(-c4c(P(c5ccccc5)c5ccccc5)ccc5c(-c6ccc(OC)c(OC)c6)cccc45)cccc23)cc1OC.
What is the InChIKey of [5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
The InChIKey is SNMZHZWUVMPUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H39O4P/c1-49-43-27-24-32(30-45(43)51-3)36-18-11-21-39-38(36)20-13-23-41(39)48-42-22-12-19-37(33-25-28-44(50-2)46(31-33)52-4)40(42)26-29-47(48)53(34-14-7-5-8-15-34)35-16-9-6-10-17-35/h5-31H,1-4H3.
What are the key properties of [5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
[5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane has a molecular weight of 710.81 g/mol, XLogP of 10.79, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane is sourced from PubChem (CID 160884923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).