About [1-[2-di(pyrrol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane
[1-[2-di(pyrrol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane (PubChem CID 54671765) has the molecular formula C36H28N4O2P2
and a molecular weight of 610.59 g/mol. Its IUPAC name is [1-[2-di(pyrrol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane.
Molecular Properties
| Compound Name | [1-[2-di(pyrrol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane |
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| PubChem CID | 54671765 |
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| Molecular Formula | C36H28N4O2P2 |
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| Molecular Weight | 610.59 g/mol |
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| Exact Mass | 610.17 |
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| IUPAC Name | [1-[2-di(pyrrol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane |
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| SMILES | c1ccc2c(-c3c(OP(n4cccc4)n4cccc4)ccc4ccccc34)c(OP(n3cccc3)n3cccc3)ccc2c1 |
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| InChI | InChI=1S/C36H28N4O2P2/c1-3-15-31-29(13-1)17-19-33(41-43(37-21-5-6-22-37)38-23-7-8-24-38)35(31)36-32-16-4-2-14-30(32)18-20-34(36)42-44(39-25-9-10-26-39)40-27-11-12-28-40/h1-28H |
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| InChIKey | RDMPKIBLZUYGFM-UHFFFAOYSA-N |
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| XLogP | 10.27 |
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| TPSA | 38.18 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 44 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 610.59 |
| LogP ≤ 5 | 10.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [1-[2-di(pyrrol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane?
The IUPAC name of [1-[2-di(pyrrol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane (CID 54671765) is [1-[2-di(pyrrol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane.
What is the SMILES notation for [1-[2-di(pyrrol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane?
The canonical SMILES for [1-[2-di(pyrrol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane is c1ccc2c(-c3c(OP(n4cccc4)n4cccc4)ccc4ccccc34)c(OP(n3cccc3)n3cccc3)ccc2c1.
What is the InChIKey of [1-[2-di(pyrrol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane?
The InChIKey is RDMPKIBLZUYGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N4O2P2/c1-3-15-31-29(13-1)17-19-33(41-43(37-21-5-6-22-37)38-23-7-8-24-38)35(31)36-32-16-4-2-14-30(32)18-20-34(36)42-44(39-25-9-10-26-39)40-27-11-12-28-40/h1-28H.
What are the key properties of [1-[2-di(pyrrol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane?
[1-[2-di(pyrrol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane has a molecular weight of 610.59 g/mol, XLogP of 10.27, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-di(pyrrol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane is sourced from PubChem (CID 54671765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).