iridium;2-phenyl-3-phenylpyrazine;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol

C24H26F3IrN2O2- — CID 59844706

IUPACiridium;2-phenyl-3-phenylpyrazine;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol
SMILESCC(C)(C)C(O)CC(O)C(F)(F)F.[Ir].[c-]1ccccc1-c1nccnc1-c1ccccc1
InChIInChI=1S/C16H11N2.C8H15F3O2.Ir/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14;1-7(2,3)5(12)4-6(13)8(9,10)11;/h1-9,11-12H;5-6,12-13H,4H2,1-3H3;/q-1;;
InChIKeyWAMKPJLOANHVCI-UHFFFAOYSA-N
MW623.70 g/mol
LogP5.31
Rot. Bonds4

About iridium;2-phenyl-3-phenylpyrazine;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol

iridium;2-phenyl-3-phenylpyrazine;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol (PubChem CID 59844706) has the molecular formula C24H26F3IrN2O2- and a molecular weight of 623.70 g/mol. Its IUPAC name is iridium;2-phenyl-3-phenylpyrazine;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol.

Molecular Properties

Compound Nameiridium;2-phenyl-3-phenylpyrazine;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol
PubChem CID59844706
Molecular FormulaC24H26F3IrN2O2-
Molecular Weight623.70 g/mol
Exact Mass624.16
IUPAC Nameiridium;2-phenyl-3-phenylpyrazine;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol
SMILESCC(C)(C)C(O)CC(O)C(F)(F)F.[Ir].[c-]1ccccc1-c1nccnc1-c1ccccc1
InChIInChI=1S/C16H11N2.C8H15F3O2.Ir/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14;1-7(2,3)5(12)4-6(13)8(9,10)11;/h1-9,11-12H;5-6,12-13H,4H2,1-3H3;/q-1;;
InChIKeyWAMKPJLOANHVCI-UHFFFAOYSA-N
XLogP5.31
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.70
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]-3-[3,5-bis(trifluoromethyl)phenyl]pyrazine;iridium;pentane-2,4-diol
CID 57543601
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]-3-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyrazine;iridium;pentane-2,4-diol
CID 57543622
2,3-Dimethyl-5-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine;iridium;pentane-2,4-diol
CID 57543626
3,5-dimethyl-2-(2H-naphthalen-2-id-1-yl)pyrazine;iridium;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol
CID 58219437
3,5-dimethyl-2-[4-(trifluoromethyl)-2H-naphthalen-2-id-1-yl]pyrazine;iridium;pentane-2,4-diol
CID 58219443
Iridium;2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazine;pentane-2,4-diol
CID 58536597
2,3-Dimethyl-5-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazine;iridium;pentane-2,4-diol
CID 58536599
Iridium;5-methyl-3-(4-methylphenyl)-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazine;pentane-2,4-diol
CID 58536601
Iridium;pentane-2,4-diol;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine
CID 58756229
Iridium;5-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine;pentane-2,4-diol
CID 58756230
Iridium;pentane-2,4-diol;1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline
CID 58841511
Iridium;pentane-2,4-diol;1-[3-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline
CID 58841514

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenyl-3-phenylpyrazine;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol?
The IUPAC name of iridium;2-phenyl-3-phenylpyrazine;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol (CID 59844706) is iridium;2-phenyl-3-phenylpyrazine;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol.
What is the SMILES notation for iridium;2-phenyl-3-phenylpyrazine;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol?
The canonical SMILES for iridium;2-phenyl-3-phenylpyrazine;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol is CC(C)(C)C(O)CC(O)C(F)(F)F.[Ir].[c-]1ccccc1-c1nccnc1-c1ccccc1.
What is the InChIKey of iridium;2-phenyl-3-phenylpyrazine;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol?
The InChIKey is WAMKPJLOANHVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N2.C8H15F3O2.Ir/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14;1-7(2,3)5(12)4-6(13)8(9,10)11;/h1-9,11-12H;5-6,12-13H,4H2,1-3H3;/q-1;;.
What are the key properties of iridium;2-phenyl-3-phenylpyrazine;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol?
iridium;2-phenyl-3-phenylpyrazine;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol has a molecular weight of 623.70 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenyl-3-phenylpyrazine;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol is sourced from PubChem (CID 59844706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).