potassium;5-bromo-6-chloro-2-(trifluoromethyl)-1H-indole;2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]benzonitrile;(2-cyanophenyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium

C32H18BBrCl2F6K3N4O6P — CID 160987080

IUPACpotassium;5-bromo-6-chloro-2-(trifluoromethyl)-1H-indole;2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]benzonitrile;(2-cyanophenyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium
SMILESFC(F)(F)c1cc2cc(Br)c(Cl)cc2[nH]1.N#Cc1ccccc1-c1cc2cc(C(F)(F)F)[nH]c2cc1Cl.N#Cc1ccccc1B(O)O.O=[P+]([O-])O[O-].[K+].[K][K]
InChIInChI=1S/C16H8ClF3N2.C9H4BrClF3N.C7H6BNO2.3K.HO4P/c17-13-7-14-10(6-15(22-14)16(18,19)20)5-12(13)11-4-2-1-3-9(11)8-21;10-5-1-4-2-8(9(12,13)14)15-7(4)3-6(5)11;9-5-6-3-1-2-4-7(6)8(10)11;;;;1-4-5(2)3/h1-7,22H;1-3,15H;1-4,10-11H;;;;1H/q;;;;;+1;/p-1
InChIKeyTUCRAISCJAYFDY-UHFFFAOYSA-M
MW978.40 g/mol
LogP3.76
Rot. Bonds3

About potassium;5-bromo-6-chloro-2-(trifluoromethyl)-1H-indole;2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]benzonitrile;(2-cyanophenyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium

potassium;5-bromo-6-chloro-2-(trifluoromethyl)-1H-indole;2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]benzonitrile;(2-cyanophenyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium (PubChem CID 160987080) has the molecular formula C32H18BBrCl2F6K3N4O6P and a molecular weight of 978.40 g/mol. Its IUPAC name is potassium;5-bromo-6-chloro-2-(trifluoromethyl)-1H-indole;2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]benzonitrile;(2-cyanophenyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium.

Molecular Properties

Compound Namepotassium;5-bromo-6-chloro-2-(trifluoromethyl)-1H-indole;2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]benzonitrile;(2-cyanophenyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium
PubChem CID160987080
Molecular FormulaC32H18BBrCl2F6K3N4O6P
Molecular Weight978.40 g/mol
Exact Mass975.84
IUPAC Namepotassium;5-bromo-6-chloro-2-(trifluoromethyl)-1H-indole;2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]benzonitrile;(2-cyanophenyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium
SMILESFC(F)(F)c1cc2cc(Br)c(Cl)cc2[nH]1.N#Cc1ccccc1-c1cc2cc(C(F)(F)F)[nH]c2cc1Cl.N#Cc1ccccc1B(O)O.O=[P+]([O-])O[O-].[K+].[K][K]
InChIInChI=1S/C16H8ClF3N2.C9H4BrClF3N.C7H6BNO2.3K.HO4P/c17-13-7-14-10(6-15(22-14)16(18,19)20)5-12(13)11-4-2-1-3-9(11)8-21;10-5-1-4-2-8(9(12,13)14)15-7(4)3-6(5)11;9-5-6-3-1-2-4-7(6)8(10)11;;;;1-4-5(2)3/h1-7,22H;1-3,15H;1-4,10-11H;;;;1H/q;;;;;+1;/p-1
InChIKeyTUCRAISCJAYFDY-UHFFFAOYSA-M
XLogP3.76
TPSA192.04 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500978.40
LogP ≤ 53.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze potassium;5-bromo-6-chloro-2-(trifluoromethyl)-1H-indole;2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]benzonitrile;(2-cyanophenyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium with MolForge

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Related Compounds

5-bromo-6-chloro-2-(trifluoromethyl)-1H-indole;6-chloro-5-(4-methylphenyl)-2-(trifluoromethyl)-1H-indole;(4-methylphenyl)boronic acid
CID 158620834
1-[2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]phenyl]-N,N-dimethylmethanamine;hydrochloride
CID 118588958
dipotassium;3-bromo-2-fluorobenzonitrile;(3-chloro-2-methoxyphenyl)boronic acid;3-(3-chloro-2-methoxyphenyl)-2-fluorobenzonitrile;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)
CID 159589467
6-chloro-5-(2-chloro-4-methylphenyl)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole
CID 118593011
[2-cyano-4-(trifluoromethyl)phenyl]boronic acid
CID 53216599
5-chloro-2-(trifluoromethyl)-1H-indole-6-carbaldehyde
CID 82383639
methyl 2-(trifluoromethyl)-1H-indole-6-carboxylate
CID 73425268
6-bromo-5-chloro-1H-indole-2-carbonitrile
CID 131319079
dipotassium;2,4-bis[2-fluoro-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazine;3-[4-(5-cyano-2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorobenzonitrile;3-[4-[5-cyano-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile;bis(1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine);1,2,3,4,5,6,7,8-octamethyl-10-[2-[4-[2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-9H-acridine;bis(oxido-oxidooxy-oxophosphanium);potassiopotassium
CID 159986059
2-[5-cyano-6-(trifluoromethyl)-1H-indol-2-yl]-2-hydroxypentane-3-sulfinate
CID 174630611
7-chloro-4-hydroxy-3-[3-(2-methoxyphenyl)phenyl]-2-oxo-1H-quinoline-6-carbonitrile
CID 54706679
2-(6-bromo-1H-indol-2-yl)benzonitrile
CID 155670182

Frequently Asked Questions

What is the IUPAC name of potassium;5-bromo-6-chloro-2-(trifluoromethyl)-1H-indole;2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]benzonitrile;(2-cyanophenyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium?
The IUPAC name of potassium;5-bromo-6-chloro-2-(trifluoromethyl)-1H-indole;2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]benzonitrile;(2-cyanophenyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium (CID 160987080) is potassium;5-bromo-6-chloro-2-(trifluoromethyl)-1H-indole;2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]benzonitrile;(2-cyanophenyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium.
What is the SMILES notation for potassium;5-bromo-6-chloro-2-(trifluoromethyl)-1H-indole;2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]benzonitrile;(2-cyanophenyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium?
The canonical SMILES for potassium;5-bromo-6-chloro-2-(trifluoromethyl)-1H-indole;2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]benzonitrile;(2-cyanophenyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium is FC(F)(F)c1cc2cc(Br)c(Cl)cc2[nH]1.N#Cc1ccccc1-c1cc2cc(C(F)(F)F)[nH]c2cc1Cl.N#Cc1ccccc1B(O)O.O=[P+]([O-])O[O-].[K+].[K][K].
What is the InChIKey of potassium;5-bromo-6-chloro-2-(trifluoromethyl)-1H-indole;2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]benzonitrile;(2-cyanophenyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium?
The InChIKey is TUCRAISCJAYFDY-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H8ClF3N2.C9H4BrClF3N.C7H6BNO2.3K.HO4P/c17-13-7-14-10(6-15(22-14)16(18,19)20)5-12(13)11-4-2-1-3-9(11)8-21;10-5-1-4-2-8(9(12,13)14)15-7(4)3-6(5)11;9-5-6-3-1-2-4-7(6)8(10)11;;;;1-4-5(2)3/h1-7,22H;1-3,15H;1-4,10-11H;;;;1H/q;;;;;+1;/p-1.
What are the key properties of potassium;5-bromo-6-chloro-2-(trifluoromethyl)-1H-indole;2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]benzonitrile;(2-cyanophenyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium?
potassium;5-bromo-6-chloro-2-(trifluoromethyl)-1H-indole;2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]benzonitrile;(2-cyanophenyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium has a molecular weight of 978.40 g/mol, XLogP of 3.76, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;5-bromo-6-chloro-2-(trifluoromethyl)-1H-indole;2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]benzonitrile;(2-cyanophenyl)boronic acid;oxido-oxidooxy-oxophosphanium;potassiopotassium is sourced from PubChem (CID 160987080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).