benzyl(phenyl)azanide;neodymium;hydroiodide

C26H25IN2Nd-2 — CID 87163763

IUPACbenzyl(phenyl)azanide;neodymium;hydroiodide
SMILESI.[Nd].c1ccc(C[N-]c2ccccc2)cc1.c1ccc(C[N-]c2ccccc2)cc1
InChIInChI=1S/2C13H12N.HI.Nd/c2*1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;;/h2*1-10H,11H2;1H;/q2*-1;;
InChIKeyLBEKTOMWHZORKB-UHFFFAOYSA-N
MW636.64 g/mol
LogP8.40
Rot. Bonds6

About benzyl(phenyl)azanide;neodymium;hydroiodide

benzyl(phenyl)azanide;neodymium;hydroiodide (PubChem CID 87163763) has the molecular formula C26H25IN2Nd-2 and a molecular weight of 636.64 g/mol. Its IUPAC name is benzyl(phenyl)azanide;neodymium;hydroiodide.

Molecular Properties

Compound Namebenzyl(phenyl)azanide;neodymium;hydroiodide
PubChem CID87163763
Molecular FormulaC26H25IN2Nd-2
Molecular Weight636.64 g/mol
Exact Mass634.02
IUPAC Namebenzyl(phenyl)azanide;neodymium;hydroiodide
SMILESI.[Nd].c1ccc(C[N-]c2ccccc2)cc1.c1ccc(C[N-]c2ccccc2)cc1
InChIInChI=1S/2C13H12N.HI.Nd/c2*1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;;/h2*1-10H,11H2;1H;/q2*-1;;
InChIKeyLBEKTOMWHZORKB-UHFFFAOYSA-N
XLogP8.40
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.64
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl(phenyl)azanide;neodymium;hydroiodide?
The IUPAC name of benzyl(phenyl)azanide;neodymium;hydroiodide (CID 87163763) is benzyl(phenyl)azanide;neodymium;hydroiodide.
What is the SMILES notation for benzyl(phenyl)azanide;neodymium;hydroiodide?
The canonical SMILES for benzyl(phenyl)azanide;neodymium;hydroiodide is I.[Nd].c1ccc(C[N-]c2ccccc2)cc1.c1ccc(C[N-]c2ccccc2)cc1.
What is the InChIKey of benzyl(phenyl)azanide;neodymium;hydroiodide?
The InChIKey is LBEKTOMWHZORKB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H12N.HI.Nd/c2*1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;;/h2*1-10H,11H2;1H;/q2*-1;;.
What are the key properties of benzyl(phenyl)azanide;neodymium;hydroiodide?
benzyl(phenyl)azanide;neodymium;hydroiodide has a molecular weight of 636.64 g/mol, XLogP of 8.40, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(phenyl)azanide;neodymium;hydroiodide is sourced from PubChem (CID 87163763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).