hexakis(copper(1+));tetrakis(3-phenylpyrazol-1-ide);bis(3-phenylpyrazol-2-ide)

C54H42Cu6N12 — CID 139069871

IUPAChexakis(copper(1+));tetrakis(3-phenylpyrazol-1-ide);bis(3-phenylpyrazol-2-ide)
SMILES[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].c1ccc(-c2cc[n-]n2)cc1.c1ccc(-c2cc[n-]n2)cc1.c1ccc(-c2cc[n-]n2)cc1.c1ccc(-c2cc[n-]n2)cc1.c1ccc(-c2ccn[n-]2)cc1.c1ccc(-c2ccn[n-]2)cc1
InChIInChI=1S/6C9H7N2.6Cu/c6*1-2-4-8(5-3-1)9-6-7-10-11-9;;;;;;/h6*1-7H;;;;;;/q6*-1;6*+1
InChIKeyVYRWUBIIDADANT-UHFFFAOYSA-N
MW1240.29 g/mol
LogP10.22
Rot. Bonds6

About hexakis(copper(1+));tetrakis(3-phenylpyrazol-1-ide);bis(3-phenylpyrazol-2-ide)

hexakis(copper(1+));tetrakis(3-phenylpyrazol-1-ide);bis(3-phenylpyrazol-2-ide) (PubChem CID 139069871) has the molecular formula C54H42Cu6N12 and a molecular weight of 1240.29 g/mol. Its IUPAC name is hexakis(copper(1+));tetrakis(3-phenylpyrazol-1-ide);bis(3-phenylpyrazol-2-ide).

Molecular Properties

Compound Namehexakis(copper(1+));tetrakis(3-phenylpyrazol-1-ide);bis(3-phenylpyrazol-2-ide)
PubChem CID139069871
Molecular FormulaC54H42Cu6N12
Molecular Weight1240.29 g/mol
Exact Mass1235.94
IUPAC Namehexakis(copper(1+));tetrakis(3-phenylpyrazol-1-ide);bis(3-phenylpyrazol-2-ide)
SMILES[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].c1ccc(-c2cc[n-]n2)cc1.c1ccc(-c2cc[n-]n2)cc1.c1ccc(-c2cc[n-]n2)cc1.c1ccc(-c2cc[n-]n2)cc1.c1ccc(-c2ccn[n-]2)cc1.c1ccc(-c2ccn[n-]2)cc1
InChIInChI=1S/6C9H7N2.6Cu/c6*1-2-4-8(5-3-1)9-6-7-10-11-9;;;;;;/h6*1-7H;;;;;;/q6*-1;6*+1
InChIKeyVYRWUBIIDADANT-UHFFFAOYSA-N
XLogP10.22
TPSA161.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001240.29
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Tris(3-phenylpyrazol-1-yl)borane
CID 57404108
Tris(3-benzyl-4-phenylpyrazol-1-yl)borane
CID 91142144
Tris(3-benzhydrylpyrazol-1-yl)borane
CID 91190656
Dichlorotetrakis(3-phenylpyrazole-kappaN^2^)copper(II)
CID 139058848
1,5-Diphenyl-4,8-bis(3-phenylpyrazol-1-yl)pyrazabole
CID 139059623
[Tetrakis(3-phenyl-1H-pyrazol-1-yl)borato]thallium(I)
CID 139062354
CID 139065503
CID 139065503
CID 139065798
CID 139065798
Dibromidotetrakis(1H-indazole-kappaN^2^)copper(II)
CID 139074170
3-(4-Fluorophenyl)-1H-pyrazole-5-(4-fluorophenyl)-1H-pyrazole (1/1)
CID 139086849
Bis(copper(1+));ethene;bis(tris[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]boranuide)
CID 139099003
Benzene;bis(2,2,12,12-tetraethyl-3,13-diaza-1,11-diazonia-2,12-diboranuidapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4,6,8,10,14,16,18-octaene)
CID 139105014

Frequently Asked Questions

What is the IUPAC name of hexakis(copper(1+));tetrakis(3-phenylpyrazol-1-ide);bis(3-phenylpyrazol-2-ide)?
The IUPAC name of hexakis(copper(1+));tetrakis(3-phenylpyrazol-1-ide);bis(3-phenylpyrazol-2-ide) (CID 139069871) is hexakis(copper(1+));tetrakis(3-phenylpyrazol-1-ide);bis(3-phenylpyrazol-2-ide).
What is the SMILES notation for hexakis(copper(1+));tetrakis(3-phenylpyrazol-1-ide);bis(3-phenylpyrazol-2-ide)?
The canonical SMILES for hexakis(copper(1+));tetrakis(3-phenylpyrazol-1-ide);bis(3-phenylpyrazol-2-ide) is [Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].c1ccc(-c2cc[n-]n2)cc1.c1ccc(-c2cc[n-]n2)cc1.c1ccc(-c2cc[n-]n2)cc1.c1ccc(-c2cc[n-]n2)cc1.c1ccc(-c2ccn[n-]2)cc1.c1ccc(-c2ccn[n-]2)cc1.
What is the InChIKey of hexakis(copper(1+));tetrakis(3-phenylpyrazol-1-ide);bis(3-phenylpyrazol-2-ide)?
The InChIKey is VYRWUBIIDADANT-UHFFFAOYSA-N. The full InChI is InChI=1S/6C9H7N2.6Cu/c6*1-2-4-8(5-3-1)9-6-7-10-11-9;;;;;;/h6*1-7H;;;;;;/q6*-1;6*+1.
What are the key properties of hexakis(copper(1+));tetrakis(3-phenylpyrazol-1-ide);bis(3-phenylpyrazol-2-ide)?
hexakis(copper(1+));tetrakis(3-phenylpyrazol-1-ide);bis(3-phenylpyrazol-2-ide) has a molecular weight of 1240.29 g/mol, XLogP of 10.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(copper(1+));tetrakis(3-phenylpyrazol-1-ide);bis(3-phenylpyrazol-2-ide) is sourced from PubChem (CID 139069871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).