About [2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane
[2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane (PubChem CID 149137608) has the molecular formula C48H52O5P2
and a molecular weight of 770.89 g/mol. Its IUPAC name is [2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane.
Molecular Properties
| Compound Name | [2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane |
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| PubChem CID | 149137608 |
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| Molecular Formula | C48H52O5P2 |
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| Molecular Weight | 770.89 g/mol |
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| Exact Mass | 770.33 |
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| IUPAC Name | [2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane |
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| SMILES | COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2ccccc2Oc2ccccc2P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C |
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| InChI | InChI=1S/C48H52O5P2/c1-29-21-37(22-30(2)45(29)49-9)54(38-23-31(3)46(50-10)32(4)24-38)43-19-15-13-17-41(43)53-42-18-14-16-20-44(42)55(39-25-33(5)47(51-11)34(6)26-39)40-27-35(7)48(52-12)36(8)28-40/h13-28H,1-12H3 |
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| InChIKey | RFWCWUVNSVLWLG-UHFFFAOYSA-N |
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| XLogP | 9.50 |
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| TPSA | 46.15 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 55 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 770.89 |
| LogP ≤ 5 | 9.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane?
The IUPAC name of [2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane (CID 149137608) is [2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane.
What is the SMILES notation for [2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane?
The canonical SMILES for [2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane is COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2ccccc2Oc2ccccc2P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C.
What is the InChIKey of [2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane?
The InChIKey is RFWCWUVNSVLWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H52O5P2/c1-29-21-37(22-30(2)45(29)49-9)54(38-23-31(3)46(50-10)32(4)24-38)43-19-15-13-17-41(43)53-42-18-14-16-20-44(42)55(39-25-33(5)47(51-11)34(6)26-39)40-27-35(7)48(52-12)36(8)28-40/h13-28H,1-12H3.
What are the key properties of [2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane?
[2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane has a molecular weight of 770.89 g/mol, XLogP of 9.50, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane is sourced from PubChem (CID 149137608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).