bis(4-phenoxyphenyl)iodanium;1,1,1-trifluoroethane

C26H21F3IO2+ — CID 163937368

IUPACbis(4-phenoxyphenyl)iodanium;1,1,1-trifluoroethane
SMILESCC(F)(F)F.c1ccc(Oc2ccc([I+]c3ccc(Oc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C24H18IO2.C2H3F3/c1-3-7-21(8-4-1)26-23-15-11-19(12-16-23)25-20-13-17-24(18-14-20)27-22-9-5-2-6-10-22;1-2(3,4)5/h1-18H;1H3/q+1;
InChIKeyRNYSKKDAZDZYRM-UHFFFAOYSA-N
MW549.35 g/mol
LogP4.97
Rot. Bonds6

About bis(4-phenoxyphenyl)iodanium;1,1,1-trifluoroethane

bis(4-phenoxyphenyl)iodanium;1,1,1-trifluoroethane (PubChem CID 163937368) has the molecular formula C26H21F3IO2+ and a molecular weight of 549.35 g/mol. Its IUPAC name is bis(4-phenoxyphenyl)iodanium;1,1,1-trifluoroethane.

Molecular Properties

Compound Namebis(4-phenoxyphenyl)iodanium;1,1,1-trifluoroethane
PubChem CID163937368
Molecular FormulaC26H21F3IO2+
Molecular Weight549.35 g/mol
Exact Mass549.05
IUPAC Namebis(4-phenoxyphenyl)iodanium;1,1,1-trifluoroethane
SMILESCC(F)(F)F.c1ccc(Oc2ccc([I+]c3ccc(Oc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C24H18IO2.C2H3F3/c1-3-7-21(8-4-1)26-23-15-11-19(12-16-23)25-20-13-17-24(18-14-20)27-22-9-5-2-6-10-22;1-2(3,4)5/h1-18H;1H3/q+1;
InChIKeyRNYSKKDAZDZYRM-UHFFFAOYSA-N
XLogP4.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.35
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-fluorophenoxy)phenyl]-phenyliodanium
CID 162496484
phenoxybenzene;propane-2,2-diol
CID 174556232
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
1,1,1-trifluoro-2-(4-phenoxyphenyl)propan-2-ol
CID 13463093
diphenyliodanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenyliodanium;bis(trifluoromethanesulfonate)
CID 158777761
(4-methoxyphenyl)-phenyliodanium bromide
CID 11058256
diphenyl-[4-(4-phenyliodoniophenoxy)phenyl]sulfanium diperchlorate
CID 87706296
potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
2,2-difluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-imine
CID 59157199
bis[4-(trifluoromethylsulfonyloxy)phenyl]iodanium
CID 154723322

Frequently Asked Questions

What is the IUPAC name of bis(4-phenoxyphenyl)iodanium;1,1,1-trifluoroethane?
The IUPAC name of bis(4-phenoxyphenyl)iodanium;1,1,1-trifluoroethane (CID 163937368) is bis(4-phenoxyphenyl)iodanium;1,1,1-trifluoroethane.
What is the SMILES notation for bis(4-phenoxyphenyl)iodanium;1,1,1-trifluoroethane?
The canonical SMILES for bis(4-phenoxyphenyl)iodanium;1,1,1-trifluoroethane is CC(F)(F)F.c1ccc(Oc2ccc([I+]c3ccc(Oc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of bis(4-phenoxyphenyl)iodanium;1,1,1-trifluoroethane?
The InChIKey is RNYSKKDAZDZYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18IO2.C2H3F3/c1-3-7-21(8-4-1)26-23-15-11-19(12-16-23)25-20-13-17-24(18-14-20)27-22-9-5-2-6-10-22;1-2(3,4)5/h1-18H;1H3/q+1;.
What are the key properties of bis(4-phenoxyphenyl)iodanium;1,1,1-trifluoroethane?
bis(4-phenoxyphenyl)iodanium;1,1,1-trifluoroethane has a molecular weight of 549.35 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-phenoxyphenyl)iodanium;1,1,1-trifluoroethane is sourced from PubChem (CID 163937368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).