iridium(3+);bis(2-[4-(trifluoromethyl)phenyl]quinoline)

C32H20F6IrN2+3 — CID 22600899

IUPACiridium(3+);bis(2-[4-(trifluoromethyl)phenyl]quinoline)
SMILESFC(F)(F)c1ccc(-c2ccc3ccccc3n2)cc1.FC(F)(F)c1ccc(-c2ccc3ccccc3n2)cc1.[Ir+3]
InChIInChI=1S/2C16H10F3N.Ir/c2*17-16(18,19)13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)20-15;/h2*1-10H;/q;;+3
InChIKeyBOXOFGUKKXKAQA-UHFFFAOYSA-N
MW738.73 g/mol
LogP9.84
Rot. Bonds2

About iridium(3+);bis(2-[4-(trifluoromethyl)phenyl]quinoline)

iridium(3+);bis(2-[4-(trifluoromethyl)phenyl]quinoline) (PubChem CID 22600899) has the molecular formula C32H20F6IrN2+3 and a molecular weight of 738.73 g/mol. Its IUPAC name is iridium(3+);bis(2-[4-(trifluoromethyl)phenyl]quinoline).

Molecular Properties

Compound Nameiridium(3+);bis(2-[4-(trifluoromethyl)phenyl]quinoline)
PubChem CID22600899
Molecular FormulaC32H20F6IrN2+3
Molecular Weight738.73 g/mol
Exact Mass739.11
IUPAC Nameiridium(3+);bis(2-[4-(trifluoromethyl)phenyl]quinoline)
SMILESFC(F)(F)c1ccc(-c2ccc3ccccc3n2)cc1.FC(F)(F)c1ccc(-c2ccc3ccccc3n2)cc1.[Ir+3]
InChIInChI=1S/2C16H10F3N.Ir/c2*17-16(18,19)13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)20-15;/h2*1-10H;/q;;+3
InChIKeyBOXOFGUKKXKAQA-UHFFFAOYSA-N
XLogP9.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.73
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze iridium(3+);bis(2-[4-(trifluoromethyl)phenyl]quinoline) 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

Acridine
CID 9215
Bathocuproine
CID 65149
2-Phenylquinoline
CID 71545
Bis(7)-tacrine
CID 9549196
Bis(3)-cognitin
CID 12069888
(E)-2-Styrylquinoline
CID 5357469
2,2'-Biquinoline
CID 8412
Acridine, 9,9'-tetramethylenediiminobis-
CID 42755
Bis-9-aminoacridine
CID 153631
N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 10625415
N,N'-Di-1,2,3,4-Tetrahydroacridin-9-Ylpentane-1,5-Diamine
CID 9549197
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)butane-1,4-diamine
CID 10253254

Frequently Asked Questions

What is the IUPAC name of iridium(3+);bis(2-[4-(trifluoromethyl)phenyl]quinoline)?
The IUPAC name of iridium(3+);bis(2-[4-(trifluoromethyl)phenyl]quinoline) (CID 22600899) is iridium(3+);bis(2-[4-(trifluoromethyl)phenyl]quinoline).
What is the SMILES notation for iridium(3+);bis(2-[4-(trifluoromethyl)phenyl]quinoline)?
The canonical SMILES for iridium(3+);bis(2-[4-(trifluoromethyl)phenyl]quinoline) is FC(F)(F)c1ccc(-c2ccc3ccccc3n2)cc1.FC(F)(F)c1ccc(-c2ccc3ccccc3n2)cc1.[Ir+3].
What is the InChIKey of iridium(3+);bis(2-[4-(trifluoromethyl)phenyl]quinoline)?
The InChIKey is BOXOFGUKKXKAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H10F3N.Ir/c2*17-16(18,19)13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)20-15;/h2*1-10H;/q;;+3.
What are the key properties of iridium(3+);bis(2-[4-(trifluoromethyl)phenyl]quinoline)?
iridium(3+);bis(2-[4-(trifluoromethyl)phenyl]quinoline) has a molecular weight of 738.73 g/mol, XLogP of 9.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium(3+);bis(2-[4-(trifluoromethyl)phenyl]quinoline) is sourced from PubChem (CID 22600899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).