About [1-[2-[bis(2-methylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-dicyclohexylphosphane
[1-[2-[bis(2-methylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-dicyclohexylphosphane (PubChem CID 23221330) has the molecular formula C48H52P2
and a molecular weight of 690.89 g/mol. Its IUPAC name is [1-[2-[bis(2-methylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-dicyclohexylphosphane.
Molecular Properties
| Compound Name | [1-[2-[bis(2-methylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-dicyclohexylphosphane |
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| PubChem CID | 23221330 |
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| Molecular Formula | C48H52P2 |
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| Molecular Weight | 690.89 g/mol |
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| Exact Mass | 690.35 |
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| IUPAC Name | [1-[2-[bis(2-methylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-dicyclohexylphosphane |
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| SMILES | Cc1ccccc1P(Cc1ccc2ccccc2c1-c1c(CP(C2CCCCC2)C2CCCCC2)ccc2ccccc12)c1ccccc1C |
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| InChI | InChI=1S/C48H52P2/c1-35-17-9-15-27-45(35)50(46-28-16-10-18-36(46)2)34-40-32-30-38-20-12-14-26-44(38)48(40)47-39(31-29-37-19-11-13-25-43(37)47)33-49(41-21-5-3-6-22-41)42-23-7-4-8-24-42/h9-20,25-32,41-42H,3-8,21-24,33-34H2,1-2H3 |
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| InChIKey | GCWTVVHXSPNFLI-UHFFFAOYSA-N |
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| XLogP | 13.56 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 50 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 690.89 |
| LogP ≤ 5 | 13.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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-[bis(2-methylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-dicyclohexylphosphane?
The IUPAC name of [1-[2-[bis(2-methylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-dicyclohexylphosphane (CID 23221330) is [1-[2-[bis(2-methylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-dicyclohexylphosphane.
What is the SMILES notation for [1-[2-[bis(2-methylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-dicyclohexylphosphane?
The canonical SMILES for [1-[2-[bis(2-methylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-dicyclohexylphosphane is Cc1ccccc1P(Cc1ccc2ccccc2c1-c1c(CP(C2CCCCC2)C2CCCCC2)ccc2ccccc12)c1ccccc1C.
What is the InChIKey of [1-[2-[bis(2-methylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-dicyclohexylphosphane?
The InChIKey is GCWTVVHXSPNFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H52P2/c1-35-17-9-15-27-45(35)50(46-28-16-10-18-36(46)2)34-40-32-30-38-20-12-14-26-44(38)48(40)47-39(31-29-37-19-11-13-25-43(37)47)33-49(41-21-5-3-6-22-41)42-23-7-4-8-24-42/h9-20,25-32,41-42H,3-8,21-24,33-34H2,1-2H3.
What are the key properties of [1-[2-[bis(2-methylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-dicyclohexylphosphane?
[1-[2-[bis(2-methylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-dicyclohexylphosphane has a molecular weight of 690.89 g/mol, XLogP of 13.56, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[bis(2-methylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-dicyclohexylphosphane is sourced from PubChem (CID 23221330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).