iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline

C22H11F6IrN2- — CID 58672274

IUPACiridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline
SMILESFC(F)(F)c1c[c-]c(-c2nc3ccccc3nc2-c2ccc(C(F)(F)F)cc2)cc1.[Ir]
InChIInChI=1S/C22H11F6N2.Ir/c23-21(24,25)15-9-5-13(6-10-15)19-20(30-18-4-2-1-3-17(18)29-19)14-7-11-16(12-8-14)22(26,27)28;/h1-7,9-12H;/q-1;
InChIKeyFGDIWBRRHCSUGV-UHFFFAOYSA-N
MW609.55 g/mol
LogP6.80
Rot. Bonds2

About iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline

iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline (PubChem CID 58672274) has the molecular formula C22H11F6IrN2- and a molecular weight of 609.55 g/mol. Its IUPAC name is iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline.

Molecular Properties

Compound Nameiridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline
PubChem CID58672274
Molecular FormulaC22H11F6IrN2-
Molecular Weight609.55 g/mol
Exact Mass610.05
IUPAC Nameiridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline
SMILESFC(F)(F)c1c[c-]c(-c2nc3ccccc3nc2-c2ccc(C(F)(F)F)cc2)cc1.[Ir]
InChIInChI=1S/C22H11F6N2.Ir/c23-21(24,25)15-9-5-13(6-10-15)19-20(30-18-4-2-1-3-17(18)29-19)14-7-11-16(12-8-14)22(26,27)28;/h1-7,9-12H;/q-1;
InChIKeyFGDIWBRRHCSUGV-UHFFFAOYSA-N
XLogP6.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.55
LogP ≤ 56.80
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

2,9-Dimethyl-1,10-phenanthroline
CID 65237
Bathocuproine
CID 65149
1-Methylphenazine
CID 606676
2-(4-Methylphenyl)-3-phenylquinoxaline
CID 2295348
2,3-Diphenylquinoxaline
CID 74311
2-Chloro-3-phenylquinoxaline
CID 677464
2-[4-(3-Phenylquinoxalin-2-yl)phenyl]propan-2-amine
CID 9819282
2-Methyl-11H-indeno[1,2-b]quinoxaline
CID 616082
6-Methyl-1,2,3,4-tetrahydrophenazine
CID 2813348
2,3-Diphenylquinoxalin-6-amine
CID 345195
6-Methyl-2,3-diphenylquinoxaline
CID 1552015
6,7-Dimethyl-2,3-diphenylquinoxaline
CID 254079

Frequently Asked Questions

What is the IUPAC name of iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline?
The IUPAC name of iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline (CID 58672274) is iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline.
What is the SMILES notation for iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline?
The canonical SMILES for iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline is FC(F)(F)c1c[c-]c(-c2nc3ccccc3nc2-c2ccc(C(F)(F)F)cc2)cc1.[Ir].
What is the InChIKey of iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline?
The InChIKey is FGDIWBRRHCSUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H11F6N2.Ir/c23-21(24,25)15-9-5-13(6-10-15)19-20(30-18-4-2-1-3-17(18)29-19)14-7-11-16(12-8-14)22(26,27)28;/h1-7,9-12H;/q-1;.
What are the key properties of iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline?
iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline has a molecular weight of 609.55 g/mol, XLogP of 6.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline is sourced from PubChem (CID 58672274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).