hexakis(3,5-diphenylpyrazol-1-ide);bis(erbium(3+))

C90H66Er2N12 — CID 139155636

IUPAChexakis(3,5-diphenylpyrazol-1-ide);bis(erbium(3+))
SMILES[Er+3].[Er+3].c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1
InChIInChI=1S/6C15H11N2.2Er/c6*1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13;;/h6*1-11H;;/q6*-1;2*+3
InChIKeyYGPKIUBXHYYVNV-UHFFFAOYSA-N
MW1650.12 g/mol
LogP20.24
Rot. Bonds12

About hexakis(3,5-diphenylpyrazol-1-ide);bis(erbium(3+))

hexakis(3,5-diphenylpyrazol-1-ide);bis(erbium(3+)) (PubChem CID 139155636) has the molecular formula C90H66Er2N12 and a molecular weight of 1650.12 g/mol. Its IUPAC name is hexakis(3,5-diphenylpyrazol-1-ide);bis(erbium(3+)).

Molecular Properties

Compound Namehexakis(3,5-diphenylpyrazol-1-ide);bis(erbium(3+))
PubChem CID139155636
Molecular FormulaC90H66Er2N12
Molecular Weight1650.12 g/mol
Exact Mass1646.41
IUPAC Namehexakis(3,5-diphenylpyrazol-1-ide);bis(erbium(3+))
SMILES[Er+3].[Er+3].c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1
InChIInChI=1S/6C15H11N2.2Er/c6*1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13;;/h6*1-11H;;/q6*-1;2*+3
InChIKeyYGPKIUBXHYYVNV-UHFFFAOYSA-N
XLogP20.24
TPSA161.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001650.12
LogP ≤ 520.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Nickel(2+);bis(tris(5-methyl-3-phenylpyrazol-1-yl)boranuide)
CID 139137458
Iron(2+);bis(tris(3,5-diphenylpyrazol-1-yl)boranuide)
CID 139137800
Iron(2+);bis(tris(5-methyl-3-phenylpyrazol-1-yl)boranuide)
CID 139138077
Nonakis(3,5-diphenylpyrazol-1-ide);tris(lanthanum(3+))
CID 139155634
Nonakis(3,5-diphenylpyrazol-1-ide);tris(neodymium(3+))
CID 139155635
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);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
Bis(cerium(3+));hexakis(3,5-ditert-butylpyrazol-1-ide);toluene
CID 139171269

Frequently Asked Questions

What is the IUPAC name of hexakis(3,5-diphenylpyrazol-1-ide);bis(erbium(3+))?
The IUPAC name of hexakis(3,5-diphenylpyrazol-1-ide);bis(erbium(3+)) (CID 139155636) is hexakis(3,5-diphenylpyrazol-1-ide);bis(erbium(3+)).
What is the SMILES notation for hexakis(3,5-diphenylpyrazol-1-ide);bis(erbium(3+))?
The canonical SMILES for hexakis(3,5-diphenylpyrazol-1-ide);bis(erbium(3+)) is [Er+3].[Er+3].c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.
What is the InChIKey of hexakis(3,5-diphenylpyrazol-1-ide);bis(erbium(3+))?
The InChIKey is YGPKIUBXHYYVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/6C15H11N2.2Er/c6*1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13;;/h6*1-11H;;/q6*-1;2*+3.
What are the key properties of hexakis(3,5-diphenylpyrazol-1-ide);bis(erbium(3+))?
hexakis(3,5-diphenylpyrazol-1-ide);bis(erbium(3+)) has a molecular weight of 1650.12 g/mol, XLogP of 20.24, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(3,5-diphenylpyrazol-1-ide);bis(erbium(3+)) is sourced from PubChem (CID 139155636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).