bis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);neodymium(3+)

C75H57N10Nd — CID 139155639

IUPACbis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);neodymium(3+)
SMILES[Nd+3].c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1
InChIInChI=1S/2C15H12N2.3C15H11N2.Nd/c5*1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13;/h2*1-11H,(H,16,17);3*1-11H;/q;;3*-1;+3
InChIKeyZACYPSGOWBQBCH-UHFFFAOYSA-N
MW1242.59 g/mol
LogP17.61
Rot. Bonds10

About bis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);neodymium(3+)

bis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);neodymium(3+) (PubChem CID 139155639) has the molecular formula C75H57N10Nd and a molecular weight of 1242.59 g/mol. Its IUPAC name is bis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);neodymium(3+).

Molecular Properties

Compound Namebis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);neodymium(3+)
PubChem CID139155639
Molecular FormulaC75H57N10Nd
Molecular Weight1242.59 g/mol
Exact Mass1239.38
IUPAC Namebis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);neodymium(3+)
SMILES[Nd+3].c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1
InChIInChI=1S/2C15H12N2.3C15H11N2.Nd/c5*1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13;/h2*1-11H,(H,16,17);3*1-11H;/q;;3*-1;+3
InChIKeyZACYPSGOWBQBCH-UHFFFAOYSA-N
XLogP17.61
TPSA138.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001242.59
LogP ≤ 517.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 139065503
CID 139065503
CID 139090023
CID 139090023
Hexakis(3,5-diphenylpyrazol-1-ide);bis(erbium(3+))
CID 139155636
Hexakis(3,5-diphenylpyrazolato)dilutetium(III)
CID 139155637
bis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);lanthanum(3+)
CID 139155638
bis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);gadolinium(3+)
CID 139155640
bis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);erbium(3+)
CID 139155641
bis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);ytterbium(3+)
CID 139155642
Calcium bis(tris(5-methyl-3-phenylpyrazol-2-ium-1-yl)boranuide)
CID 168332226
bis(copper(1+));hexakis(3,5-diphenyl-1H-pyrazole);sulfate
CID 168349340
disilver;hexakis(3,5-diphenyl-1H-pyrazole);sulfate
CID 168349341
chloroplatinum;bis(copper(1+));bis(3,5-diphenyl-1H-pyrazole);tetrakis(3,5-diphenylpyrazol-1-ide)
CID 59146594

Frequently Asked Questions

What is the IUPAC name of bis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);neodymium(3+)?
The IUPAC name of bis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);neodymium(3+) (CID 139155639) is bis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);neodymium(3+).
What is the SMILES notation for bis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);neodymium(3+)?
The canonical SMILES for bis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);neodymium(3+) is [Nd+3].c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1.
What is the InChIKey of bis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);neodymium(3+)?
The InChIKey is ZACYPSGOWBQBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H12N2.3C15H11N2.Nd/c5*1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13;/h2*1-11H,(H,16,17);3*1-11H;/q;;3*-1;+3.
What are the key properties of bis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);neodymium(3+)?
bis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);neodymium(3+) has a molecular weight of 1242.59 g/mol, XLogP of 17.61, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);neodymium(3+) is sourced from PubChem (CID 139155639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).