neodymium(3+);tris((2-nonylphenyl)-oxido-oxophosphanium)

C45H69NdO6P3+3 — CID 142766456

IUPACneodymium(3+);tris((2-nonylphenyl)-oxido-oxophosphanium)
SMILESCCCCCCCCCc1ccccc1[P+](=O)[O-].CCCCCCCCCc1ccccc1[P+](=O)[O-].CCCCCCCCCc1ccccc1[P+](=O)[O-].[Nd+3]
InChIInChI=1S/3C15H23O2P.Nd/c3*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)18(16)17;/h3*9-10,12-13H,2-8,11H2,1H3;/q;;;+3
InChIKeyISJBOKLDUPNMPO-UHFFFAOYSA-N
MW943.20 g/mol
LogP11.12
Rot. Bonds27

About neodymium(3+);tris((2-nonylphenyl)-oxido-oxophosphanium)

neodymium(3+);tris((2-nonylphenyl)-oxido-oxophosphanium) (PubChem CID 142766456) has the molecular formula C45H69NdO6P3+3 and a molecular weight of 943.20 g/mol. Its IUPAC name is neodymium(3+);tris((2-nonylphenyl)-oxido-oxophosphanium).

Molecular Properties

Compound Nameneodymium(3+);tris((2-nonylphenyl)-oxido-oxophosphanium)
PubChem CID142766456
Molecular FormulaC45H69NdO6P3+3
Molecular Weight943.20 g/mol
Exact Mass940.34
IUPAC Nameneodymium(3+);tris((2-nonylphenyl)-oxido-oxophosphanium)
SMILESCCCCCCCCCc1ccccc1[P+](=O)[O-].CCCCCCCCCc1ccccc1[P+](=O)[O-].CCCCCCCCCc1ccccc1[P+](=O)[O-].[Nd+3]
InChIInChI=1S/3C15H23O2P.Nd/c3*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)18(16)17;/h3*9-10,12-13H,2-8,11H2,1H3;/q;;;+3
InChIKeyISJBOKLDUPNMPO-UHFFFAOYSA-N
XLogP11.12
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.20
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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CID 173133116
CID 173133116
CID 173133427
CID 173133427

Frequently Asked Questions

What is the IUPAC name of neodymium(3+);tris((2-nonylphenyl)-oxido-oxophosphanium)?
The IUPAC name of neodymium(3+);tris((2-nonylphenyl)-oxido-oxophosphanium) (CID 142766456) is neodymium(3+);tris((2-nonylphenyl)-oxido-oxophosphanium).
What is the SMILES notation for neodymium(3+);tris((2-nonylphenyl)-oxido-oxophosphanium)?
The canonical SMILES for neodymium(3+);tris((2-nonylphenyl)-oxido-oxophosphanium) is CCCCCCCCCc1ccccc1[P+](=O)[O-].CCCCCCCCCc1ccccc1[P+](=O)[O-].CCCCCCCCCc1ccccc1[P+](=O)[O-].[Nd+3].
What is the InChIKey of neodymium(3+);tris((2-nonylphenyl)-oxido-oxophosphanium)?
The InChIKey is ISJBOKLDUPNMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H23O2P.Nd/c3*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)18(16)17;/h3*9-10,12-13H,2-8,11H2,1H3;/q;;;+3.
What are the key properties of neodymium(3+);tris((2-nonylphenyl)-oxido-oxophosphanium)?
neodymium(3+);tris((2-nonylphenyl)-oxido-oxophosphanium) has a molecular weight of 943.20 g/mol, XLogP of 11.12, 27 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for neodymium(3+);tris((2-nonylphenyl)-oxido-oxophosphanium) is sourced from PubChem (CID 142766456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).