bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));2-(4-quinolin-2-ylphenyl)quinoline

C34H18Cu2F12N6 — CID 59012303

IUPACbis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));2-(4-quinolin-2-ylphenyl)quinoline
SMILESFC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Cu+].[Cu+].c1ccc2nc(-c3ccc(-c4ccc5ccccc5n4)cc3)ccc2c1
InChIInChI=1S/C24H16N2.2C5HF6N2.2Cu/c1-3-7-21-17(5-1)13-15-23(25-21)19-9-11-20(12-10-19)24-16-14-18-6-2-4-8-22(18)26-24;2*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;/h1-16H;2*1H;;/q;2*-1;2*+1
InChIKeyUXGHONYHUWOQNP-UHFFFAOYSA-N
MW865.63 g/mol
LogP10.26
Rot. Bonds2

About bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));2-(4-quinolin-2-ylphenyl)quinoline

bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));2-(4-quinolin-2-ylphenyl)quinoline (PubChem CID 59012303) has the molecular formula C34H18Cu2F12N6 and a molecular weight of 865.63 g/mol. Its IUPAC name is bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));2-(4-quinolin-2-ylphenyl)quinoline.

Molecular Properties

Compound Namebis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));2-(4-quinolin-2-ylphenyl)quinoline
PubChem CID59012303
Molecular FormulaC34H18Cu2F12N6
Molecular Weight865.63 g/mol
Exact Mass864.00
IUPAC Namebis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));2-(4-quinolin-2-ylphenyl)quinoline
SMILESFC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Cu+].[Cu+].c1ccc2nc(-c3ccc(-c4ccc5ccccc5n4)cc3)ccc2c1
InChIInChI=1S/C24H16N2.2C5HF6N2.2Cu/c1-3-7-21-17(5-1)13-15-23(25-21)19-9-11-20(12-10-19)24-16-14-18-6-2-4-8-22(18)26-24;2*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;/h1-16H;2*1H;;/q;2*-1;2*+1
InChIKeyUXGHONYHUWOQNP-UHFFFAOYSA-N
XLogP10.26
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.63
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Methylphenyl)-1,3-diphenylpyrazolo[4,5-c]quinoline
CID 145966969
1,3,4-Triphenylpyrazolo[4,5-c]quinoline
CID 145972160
6-Fluoro-2-[3-(4-fluorophenyl)-1-phenylpyrazol-5-yl]quinoline
CID 137639851
6-Fluoro-2-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]quinoline
CID 137644767
2-(1,5-Diphenylpyrazol-3-yl)-6-fluoroquinoline
CID 142291652
2-(1,3-Diphenylpyrazol-5-yl)-6-fluoroquinoline
CID 142291654
2-[1,3-Bis(4-fluorophenyl)pyrazol-5-yl]-6-fluoroquinoline
CID 142291657
6-Fluoro-2-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]quinoline
CID 142291662
1,3-diphenyl-7-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinoline
CID 15990604
Pyrazolo(1,5-a)quinoline, 2-phenyl-
CID 134447
3-Fluoro-6-phenylindazolo[3,2-a]isoquinoline
CID 56971059
2-Fluoro-6-phenylindazolo[3,2-a]isoquinoline
CID 101892844

Frequently Asked Questions

What is the IUPAC name of bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));2-(4-quinolin-2-ylphenyl)quinoline?
The IUPAC name of bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));2-(4-quinolin-2-ylphenyl)quinoline (CID 59012303) is bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));2-(4-quinolin-2-ylphenyl)quinoline.
What is the SMILES notation for bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));2-(4-quinolin-2-ylphenyl)quinoline?
The canonical SMILES for bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));2-(4-quinolin-2-ylphenyl)quinoline is FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Cu+].[Cu+].c1ccc2nc(-c3ccc(-c4ccc5ccccc5n4)cc3)ccc2c1.
What is the InChIKey of bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));2-(4-quinolin-2-ylphenyl)quinoline?
The InChIKey is UXGHONYHUWOQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2.2C5HF6N2.2Cu/c1-3-7-21-17(5-1)13-15-23(25-21)19-9-11-20(12-10-19)24-16-14-18-6-2-4-8-22(18)26-24;2*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;/h1-16H;2*1H;;/q;2*-1;2*+1.
What are the key properties of bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));2-(4-quinolin-2-ylphenyl)quinoline?
bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));2-(4-quinolin-2-ylphenyl)quinoline has a molecular weight of 865.63 g/mol, XLogP of 10.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));2-(4-quinolin-2-ylphenyl)quinoline is sourced from PubChem (CID 59012303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).