hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);hexakis(copper(1+));naphthalene

C50H22Cu6F36N12 — CID 139177053

IUPAChexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);hexakis(copper(1+));naphthalene
SMILESFC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/2C10H8.6C5HF6N2.6Cu/c2*1-2-6-10-8-4-3-7-9(10)5-1;6*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;/h2*1-8H;6*1H;;;;;;/q;;6*-1;6*+1
InChIKeyGEYWPTYFAOEWDX-UHFFFAOYSA-N
MW1856.01 g/mol
LogP18.12
Rot. Bonds

About hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);hexakis(copper(1+));naphthalene

hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);hexakis(copper(1+));naphthalene (PubChem CID 139177053) has the molecular formula C50H22Cu6F36N12 and a molecular weight of 1856.01 g/mol. Its IUPAC name is hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);hexakis(copper(1+));naphthalene.

Molecular Properties

Compound Namehexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);hexakis(copper(1+));naphthalene
PubChem CID139177053
Molecular FormulaC50H22Cu6F36N12
Molecular Weight1856.01 g/mol
Exact Mass1851.73
IUPAC Namehexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);hexakis(copper(1+));naphthalene
SMILESFC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/2C10H8.6C5HF6N2.6Cu/c2*1-2-6-10-8-4-3-7-9(10)5-1;6*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;/h2*1-8H;6*1H;;;;;;/q;;6*-1;6*+1
InChIKeyGEYWPTYFAOEWDX-UHFFFAOYSA-N
XLogP18.12
TPSA161.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001856.01
LogP ≤ 518.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(CF3),5-(Ph)PzCu]3
CID 139118754
{[3,5-(CF3)2Pz]Au}3-0.5Toluene
CID 139129874
Benzene;dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(copper(1+))
CID 139177051
Hexasilver;benzo[c]cinnoline;hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide)
CID 168349955
Copper;tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));ethynylbenzene
CID 168350705
Hexakis(copper(1+));tris(4-[[7-[(3,5-diphenylpyrazol-1-id-4-yl)methyl]naphthalen-2-yl]methyl]-3,5-diphenylpyrazol-1-ide)
CID 139160546
{[3,5-(CF3)2Pz]Ag}3-0.5tol
CID 139129023
CID 139149638
CID 139149638

Frequently Asked Questions

What is the IUPAC name of hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);hexakis(copper(1+));naphthalene?
The IUPAC name of hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);hexakis(copper(1+));naphthalene (CID 139177053) is hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);hexakis(copper(1+));naphthalene.
What is the SMILES notation for hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);hexakis(copper(1+));naphthalene?
The canonical SMILES for hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);hexakis(copper(1+));naphthalene is FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].c1ccc2ccccc2c1.c1ccc2ccccc2c1.
What is the InChIKey of hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);hexakis(copper(1+));naphthalene?
The InChIKey is GEYWPTYFAOEWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8.6C5HF6N2.6Cu/c2*1-2-6-10-8-4-3-7-9(10)5-1;6*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;/h2*1-8H;6*1H;;;;;;/q;;6*-1;6*+1.
What are the key properties of hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);hexakis(copper(1+));naphthalene?
hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);hexakis(copper(1+));naphthalene has a molecular weight of 1856.01 g/mol, XLogP of 18.12, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);hexakis(copper(1+));naphthalene is sourced from PubChem (CID 139177053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).