1,1'-biphenyl;neodymium(3+);phosphate

C12H10NdO4P — CID 87071793

IUPAC1,1'-biphenyl;neodymium(3+);phosphate
SMILESO=P([O-])([O-])[O-].[Nd+3].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.Nd.H3O4P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;;1-5(2,3)4/h1-10H;;(H3,1,2,3,4)/q;+3;/p-3
InChIKeyAVOSFEDWLNAHPZ-UHFFFAOYSA-K
MW393.42 g/mol
LogP0.53
Rot. Bonds1

About 1,1'-biphenyl;neodymium(3+);phosphate

1,1'-biphenyl;neodymium(3+);phosphate (PubChem CID 87071793) has the molecular formula C12H10NdO4P and a molecular weight of 393.42 g/mol. Its IUPAC name is 1,1'-biphenyl;neodymium(3+);phosphate.

Molecular Properties

Compound Name1,1'-biphenyl;neodymium(3+);phosphate
PubChem CID87071793
Molecular FormulaC12H10NdO4P
Molecular Weight393.42 g/mol
Exact Mass390.94
IUPAC Name1,1'-biphenyl;neodymium(3+);phosphate
SMILESO=P([O-])([O-])[O-].[Nd+3].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.Nd.H3O4P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;;1-5(2,3)4/h1-10H;;(H3,1,2,3,4)/q;+3;/p-3
InChIKeyAVOSFEDWLNAHPZ-UHFFFAOYSA-K
XLogP0.53
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;neodymium(3+);phosphate?
The IUPAC name of 1,1'-biphenyl;neodymium(3+);phosphate (CID 87071793) is 1,1'-biphenyl;neodymium(3+);phosphate.
What is the SMILES notation for 1,1'-biphenyl;neodymium(3+);phosphate?
The canonical SMILES for 1,1'-biphenyl;neodymium(3+);phosphate is O=P([O-])([O-])[O-].[Nd+3].c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;neodymium(3+);phosphate?
The InChIKey is AVOSFEDWLNAHPZ-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H10.Nd.H3O4P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;;1-5(2,3)4/h1-10H;;(H3,1,2,3,4)/q;+3;/p-3.
What are the key properties of 1,1'-biphenyl;neodymium(3+);phosphate?
1,1'-biphenyl;neodymium(3+);phosphate has a molecular weight of 393.42 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;neodymium(3+);phosphate is sourced from PubChem (CID 87071793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).