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

C75H57GdN10 — CID 139155640

IUPACbis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);gadolinium(3+)
SMILES[Gd+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.Gd/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
InChIKeyIPKPTYDENIBPOE-UHFFFAOYSA-N
MW1255.60 g/mol
LogP17.61
Rot. Bonds10

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

bis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);gadolinium(3+) (PubChem CID 139155640) has the molecular formula C75H57GdN10 and a molecular weight of 1255.60 g/mol. Its IUPAC name is bis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);gadolinium(3+).

Molecular Properties

Compound Namebis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);gadolinium(3+)
PubChem CID139155640
Molecular FormulaC75H57GdN10
Molecular Weight1255.60 g/mol
Exact Mass1255.40
IUPAC Namebis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);gadolinium(3+)
SMILES[Gd+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.Gd/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
InChIKeyIPKPTYDENIBPOE-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 ≤ 5001255.60
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);neodymium(3+)
CID 139155639
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);gadolinium(3+)?
The IUPAC name of bis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);gadolinium(3+) (CID 139155640) is bis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);gadolinium(3+).
What is the SMILES notation for bis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);gadolinium(3+)?
The canonical SMILES for bis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);gadolinium(3+) is [Gd+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);gadolinium(3+)?
The InChIKey is IPKPTYDENIBPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H12N2.3C15H11N2.Gd/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);gadolinium(3+)?
bis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);gadolinium(3+) has a molecular weight of 1255.60 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);gadolinium(3+) is sourced from PubChem (CID 139155640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).