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

C34H18Cu2F12N6 — CID 59012301

IUPACbis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));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.[Cu+].[Cu+].c1ccc2c(-c3ccc(-c4nccc5ccccc45)cc3)nccc2c1
InChIInChI=1S/C24H16N2.2C5HF6N2.2Cu/c1-3-7-21-17(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;2*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;/h1-16H;2*1H;;/q;2*-1;2*+1
InChIKeyAHTWDEYQHSOGAB-UHFFFAOYSA-N
MW865.63 g/mol
LogP10.26
Rot. Bonds2

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

bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline (PubChem CID 59012301) 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+));1-(4-isoquinolin-1-ylphenyl)isoquinoline.

Molecular Properties

Compound Namebis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline
PubChem CID59012301
Molecular FormulaC34H18Cu2F12N6
Molecular Weight865.63 g/mol
Exact Mass864.00
IUPAC Namebis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));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.[Cu+].[Cu+].c1ccc2c(-c3ccc(-c4nccc5ccccc45)cc3)nccc2c1
InChIInChI=1S/C24H16N2.2C5HF6N2.2Cu/c1-3-7-21-17(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;2*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;/h1-16H;2*1H;;/q;2*-1;2*+1
InChIKeyAHTWDEYQHSOGAB-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

Dihydropyrrolopyrazole, 7d
CID 9946092
4-(1-Benzyl-3-pyridin-2-yl-1H-pyrazol-4-yl)-quinoline
CID 10361281
1-(4-Fluorophenyl)-4a-[(4-fluorophenyl)methyl]-6-(pyridin-4-ylmethyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 11547261
1-(4-Fluorophenyl)-4a-[(4-fluorophenyl)methyl]-6-(pyridin-3-ylmethyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 11597965
4-(2-(Pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
CID 23546124
4-(2-(5-fluoropyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
CID 44345925
2-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl)phenyl)ethynyl)quinoline
CID 71578082
8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-2-(1-methyl-1H-pyrazol-5-yl)-1,6-naphthyridine
CID 118660621
9-Phenyl-8-aza-7-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene
CID 44269957
4-(1-Phenylpyrazol-4-yl)-7-(trifluoromethyl)quinoline
CID 70694003
4-(1-Ethyl-5-pyridazin-3-ylpyrazol-3-yl)isoquinoline
CID 137637650
N-(3,4-difluorophenyl)-7-(1-piperidin-4-ylpyrazol-4-yl)quinolin-4-amine
CID 137641084

Frequently Asked Questions

What is the IUPAC name of bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline?
The IUPAC name of bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline (CID 59012301) is bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline.
What is the SMILES notation for bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline?
The canonical SMILES for bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));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.[Cu+].[Cu+].c1ccc2c(-c3ccc(-c4nccc5ccccc45)cc3)nccc2c1.
What is the InChIKey of bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline?
The InChIKey is AHTWDEYQHSOGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2.2C5HF6N2.2Cu/c1-3-7-21-17(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;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+));1-(4-isoquinolin-1-ylphenyl)isoquinoline?
bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));1-(4-isoquinolin-1-ylphenyl)isoquinoline 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+));1-(4-isoquinolin-1-ylphenyl)isoquinoline is sourced from PubChem (CID 59012301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).