heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);heptakis(copper(1+));tris(1-(4-isoquinolin-1-ylphenyl)isoquinoline)

C107H55Cu7F42N20 — CID 161233824

IUPACheptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);heptakis(copper(1+));tris(1-(4-isoquinolin-1-ylphenyl)isoquinoline)
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.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].c1ccc2c(-c3ccc(-c4nccc5ccccc45)cc3)nccc2c1.c1ccc2c(-c3ccc(-c4nccc5ccccc45)cc3)nccc2c1.c1ccc2c(-c3ccc(-c4nccc5ccccc45)cc3)nccc2c1
InChIInChI=1S/3C24H16N2.7C5HF6N2.7Cu/c3*1-3-7-21-17(5-1)13-15-25-23(21)19-9-11-20(12-10-19)24-22-8-4-2-6-18(22)14-16-26-24;7*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;;/h3*1-16H;7*1H;;;;;;;/q;;;7*-1;7*+1
InChIKeyUZCJPWDOEYRTOS-UHFFFAOYSA-N
MW2863.49 g/mol
LogP32.87
Rot. Bonds6

About heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);heptakis(copper(1+));tris(1-(4-isoquinolin-1-ylphenyl)isoquinoline)

heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);heptakis(copper(1+));tris(1-(4-isoquinolin-1-ylphenyl)isoquinoline) (PubChem CID 161233824) has the molecular formula C107H55Cu7F42N20 and a molecular weight of 2863.49 g/mol. Its IUPAC name is heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);heptakis(copper(1+));tris(1-(4-isoquinolin-1-ylphenyl)isoquinoline).

Molecular Properties

Compound Nameheptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);heptakis(copper(1+));tris(1-(4-isoquinolin-1-ylphenyl)isoquinoline)
PubChem CID161233824
Molecular FormulaC107H55Cu7F42N20
Molecular Weight2863.49 g/mol
Exact Mass2857.93
IUPAC Nameheptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);heptakis(copper(1+));tris(1-(4-isoquinolin-1-ylphenyl)isoquinoline)
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.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].c1ccc2c(-c3ccc(-c4nccc5ccccc45)cc3)nccc2c1.c1ccc2c(-c3ccc(-c4nccc5ccccc45)cc3)nccc2c1.c1ccc2c(-c3ccc(-c4nccc5ccccc45)cc3)nccc2c1
InChIInChI=1S/3C24H16N2.7C5HF6N2.7Cu/c3*1-3-7-21-17(5-1)13-15-25-23(21)19-9-11-20(12-10-19)24-22-8-4-2-6-18(22)14-16-26-24;7*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;;/h3*1-16H;7*1H;;;;;;;/q;;;7*-1;7*+1
InChIKeyUZCJPWDOEYRTOS-UHFFFAOYSA-N
XLogP32.87
TPSA266.27 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002863.49
LogP ≤ 532.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);heptakis(copper(1+));tris(1-(4-isoquinolin-1-ylphenyl)isoquinoline) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+))
CID 139132391
[2-[2-Azanidyl-4,6-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)phenyl]azanide;benzene;bis(cobalt(3+));bis(phenyl-[6-[phenyl-di(pyrazol-1-yl)boranuidyl]-2-pyridinyl]-di(pyrazol-1-yl)boranuide)
CID 139144029
4-[2,6-Di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+)
CID 139165520
Gross107 (Sudhakar)
CID 139174614
Bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(iridium);bis(1-phenylisoquinoline);bis(2-phenylpyrazine)
CID 59010556
bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(iridium);bis(1-phenylisoquinoline);bis(3-pyridin-2-yl-4H-pyridin-4-ide)
CID 59010559
copper;bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);copper(1+);N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59012299
Bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline
CID 59012301
bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(3-quinolin-3-ylphenyl)phenyl]aniline
CID 59012306
Bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline
CID 59012313
bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline)
CID 59012316
1,3-Bis(trifluoromethyl)cyclopenta-1,3-diene;3,5-bis(trifluoromethyl)pyrazol-1-ide;bis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline
CID 59012319

Frequently Asked Questions

What is the IUPAC name of heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);heptakis(copper(1+));tris(1-(4-isoquinolin-1-ylphenyl)isoquinoline)?
The IUPAC name of heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);heptakis(copper(1+));tris(1-(4-isoquinolin-1-ylphenyl)isoquinoline) (CID 161233824) is heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);heptakis(copper(1+));tris(1-(4-isoquinolin-1-ylphenyl)isoquinoline).
What is the SMILES notation for heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);heptakis(copper(1+));tris(1-(4-isoquinolin-1-ylphenyl)isoquinoline)?
The canonical SMILES for heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);heptakis(copper(1+));tris(1-(4-isoquinolin-1-ylphenyl)isoquinoline) 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.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].c1ccc2c(-c3ccc(-c4nccc5ccccc45)cc3)nccc2c1.c1ccc2c(-c3ccc(-c4nccc5ccccc45)cc3)nccc2c1.c1ccc2c(-c3ccc(-c4nccc5ccccc45)cc3)nccc2c1.
What is the InChIKey of heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);heptakis(copper(1+));tris(1-(4-isoquinolin-1-ylphenyl)isoquinoline)?
The InChIKey is UZCJPWDOEYRTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H16N2.7C5HF6N2.7Cu/c3*1-3-7-21-17(5-1)13-15-25-23(21)19-9-11-20(12-10-19)24-22-8-4-2-6-18(22)14-16-26-24;7*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;;/h3*1-16H;7*1H;;;;;;;/q;;;7*-1;7*+1.
What are the key properties of heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);heptakis(copper(1+));tris(1-(4-isoquinolin-1-ylphenyl)isoquinoline)?
heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);heptakis(copper(1+));tris(1-(4-isoquinolin-1-ylphenyl)isoquinoline) has a molecular weight of 2863.49 g/mol, XLogP of 32.87, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);heptakis(copper(1+));tris(1-(4-isoquinolin-1-ylphenyl)isoquinoline) is sourced from PubChem (CID 161233824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).