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

C32H20F6IrN2+3 — CID 22600896

IUPACiridium(3+);bis(2-[2-(trifluoromethyl)phenyl]quinoline)
SMILESFC(F)(F)c1ccccc1-c1ccc2ccccc2n1.FC(F)(F)c1ccccc1-c1ccc2ccccc2n1.[Ir+3]
InChIInChI=1S/2C16H10F3N.Ir/c2*17-16(18,19)13-7-3-2-6-12(13)15-10-9-11-5-1-4-8-14(11)20-15;/h2*1-10H;/q;;+3
InChIKeyKCCCJESWSKSNGE-UHFFFAOYSA-N
MW738.73 g/mol
LogP9.84
Rot. Bonds2

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

iridium(3+);bis(2-[2-(trifluoromethyl)phenyl]quinoline) (PubChem CID 22600896) has the molecular formula C32H20F6IrN2+3 and a molecular weight of 738.73 g/mol. Its IUPAC name is iridium(3+);bis(2-[2-(trifluoromethyl)phenyl]quinoline).

Molecular Properties

Compound Nameiridium(3+);bis(2-[2-(trifluoromethyl)phenyl]quinoline)
PubChem CID22600896
Molecular FormulaC32H20F6IrN2+3
Molecular Weight738.73 g/mol
Exact Mass739.11
IUPAC Nameiridium(3+);bis(2-[2-(trifluoromethyl)phenyl]quinoline)
SMILESFC(F)(F)c1ccccc1-c1ccc2ccccc2n1.FC(F)(F)c1ccccc1-c1ccc2ccccc2n1.[Ir+3]
InChIInChI=1S/2C16H10F3N.Ir/c2*17-16(18,19)13-7-3-2-6-12(13)15-10-9-11-5-1-4-8-14(11)20-15;/h2*1-10H;/q;;+3
InChIKeyKCCCJESWSKSNGE-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

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Related Compounds

Acridine
CID 9215
Benz(c)acridine
CID 9181
Dibenz(a,j)acridine
CID 9177
DIBENZ(a,h)ACRIDINE
CID 9183
Bathocuproine
CID 65149
Bis(7)-tacrine
CID 9549196
Benz(a)acridine
CID 9180
9-Methylacridine
CID 11913
Dibenz(a,c)acridine
CID 9165
2,2'-Biquinoline
CID 8412
Acridine, 9,9'-tetramethylenediiminobis-
CID 42755
Bis-9-aminoacridine
CID 153631

Frequently Asked Questions

What is the IUPAC name of iridium(3+);bis(2-[2-(trifluoromethyl)phenyl]quinoline)?
The IUPAC name of iridium(3+);bis(2-[2-(trifluoromethyl)phenyl]quinoline) (CID 22600896) is iridium(3+);bis(2-[2-(trifluoromethyl)phenyl]quinoline).
What is the SMILES notation for iridium(3+);bis(2-[2-(trifluoromethyl)phenyl]quinoline)?
The canonical SMILES for iridium(3+);bis(2-[2-(trifluoromethyl)phenyl]quinoline) is FC(F)(F)c1ccccc1-c1ccc2ccccc2n1.FC(F)(F)c1ccccc1-c1ccc2ccccc2n1.[Ir+3].
What is the InChIKey of iridium(3+);bis(2-[2-(trifluoromethyl)phenyl]quinoline)?
The InChIKey is KCCCJESWSKSNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H10F3N.Ir/c2*17-16(18,19)13-7-3-2-6-12(13)15-10-9-11-5-1-4-8-14(11)20-15;/h2*1-10H;/q;;+3.
What are the key properties of iridium(3+);bis(2-[2-(trifluoromethyl)phenyl]quinoline)?
iridium(3+);bis(2-[2-(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-[2-(trifluoromethyl)phenyl]quinoline) is sourced from PubChem (CID 22600896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).