iridium;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide

C18H10F3IrN2- — CID 58517844

IUPACiridium;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide
SMILESFC(F)(F)c1ccccc1-c1cnc2c3[c-]cccc3ccn12.[Ir]
InChIInChI=1S/C18H10F3N2.Ir/c19-18(20,21)15-8-4-3-7-14(15)16-11-22-17-13-6-2-1-5-12(13)9-10-23(16)17;/h1-5,7-11H;/q-1;
InChIKeyHJXIGKCWEXLVMA-UHFFFAOYSA-N
MW503.50 g/mol
LogP4.97
Rot. Bonds1

About iridium;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide

iridium;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide (PubChem CID 58517844) has the molecular formula C18H10F3IrN2- and a molecular weight of 503.50 g/mol. Its IUPAC name is iridium;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide.

Molecular Properties

Compound Nameiridium;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide
PubChem CID58517844
Molecular FormulaC18H10F3IrN2-
Molecular Weight503.50 g/mol
Exact Mass504.04
IUPAC Nameiridium;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide
SMILESFC(F)(F)c1ccccc1-c1cnc2c3[c-]cccc3ccn12.[Ir]
InChIInChI=1S/C18H10F3N2.Ir/c19-18(20,21)15-8-4-3-7-14(15)16-11-22-17-13-6-2-1-5-12(13)9-10-23(16)17;/h1-5,7-11H;/q-1;
InChIKeyHJXIGKCWEXLVMA-UHFFFAOYSA-N
XLogP4.97
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.50
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

8-(trifluoromethyl)-1H-naphthalen-1-ide;yttrium
CID 166533772
2-bromo-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazole
CID 117259923
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
CID 140687843
CID 140687843
2-[2-(trifluoromethyl)phenyl]quinazoline
CID 67571901
5-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum
CID 58518069
lithium 8-naphthalen-1-yl-1H-naphthalen-1-ide
CID 177406030
4-fluoro-3,5-bis[2-(trifluoromethyl)phenyl]pyridine
CID 133089510
5-chloro-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole
CID 117258904
2-chloro-3-fluoro-4-[2-(trifluoromethyl)phenyl]pyridine
CID 118997710
2-chloro-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole
CID 71227633
1-(7,8-dichloroimidazo[1,2-a]pyridin-3-yl)-4,4-difluoro-3,3-dimethylisoquinoline
CID 135306237

Frequently Asked Questions

What is the IUPAC name of iridium;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide?
The IUPAC name of iridium;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide (CID 58517844) is iridium;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide.
What is the SMILES notation for iridium;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide?
The canonical SMILES for iridium;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide is FC(F)(F)c1ccccc1-c1cnc2c3[c-]cccc3ccn12.[Ir].
What is the InChIKey of iridium;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide?
The InChIKey is HJXIGKCWEXLVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N2.Ir/c19-18(20,21)15-8-4-3-7-14(15)16-11-22-17-13-6-2-1-5-12(13)9-10-23(16)17;/h1-5,7-11H;/q-1;.
What are the key properties of iridium;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide?
iridium;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide has a molecular weight of 503.50 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide is sourced from PubChem (CID 58517844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).