bis(4-fluorophenyl)iodanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]iodanium;(4-fluorophenyl)-phenyliodanium;(2-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(3-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-nitrophenyl)-phenyliodanium;[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium

C120H121F6I8NO4+8 — CID 159973413

IUPACbis(4-fluorophenyl)iodanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]iodanium;(4-fluorophenyl)-phenyliodanium;(2-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(3-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-nitrophenyl)-phenyliodanium;[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium
SMILESCC(C)(C)Oc1ccc([I+]c2ccc(OC(C)(C)C)cc2)cc1.Cc1cc(C)c([I+]c2ccc(C(F)(F)F)cc2)c(C)c1.Cc1cc(C)c([I+]c2ccccc2C)c(C)c1.Cc1ccc([I+]c2c(C)cc(C)cc2C)cc1.Cc1cccc([I+]c2c(C)cc(C)cc2C)c1.Fc1ccc([I+]c2ccc(F)cc2)cc1.Fc1ccc([I+]c2ccccc2)cc1.O=[N+]([O-])c1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C20H26IO2.C16H15F3I.3C16H18I.C12H8F2I.C12H9FI.C12H9INO2/c1-19(2,3)22-17-11-7-15(8-12-17)21-16-9-13-18(14-10-16)23-20(4,5)6;1-10-8-11(2)15(12(3)9-10)20-14-6-4-13(5-7-14)16(17,18)19;1-11-5-7-15(8-6-11)17-16-13(3)9-12(2)10-14(16)4;1-11-6-5-7-15(10-11)17-16-13(3)8-12(2)9-14(16)4;1-11-9-13(3)16(14(4)10-11)17-15-8-6-5-7-12(15)2;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h7-14H,1-6H3;4-9H,1-3H3;3*5-10H,1-4H3;1-8H;1-9H;1-9H/q8*+1
InChIKeyOEVQIGCFBINUJC-UHFFFAOYSA-N
MW2770.51 g/mol
LogP6.85
Rot. Bonds19

About bis(4-fluorophenyl)iodanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]iodanium;(4-fluorophenyl)-phenyliodanium;(2-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(3-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-nitrophenyl)-phenyliodanium;[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium

bis(4-fluorophenyl)iodanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]iodanium;(4-fluorophenyl)-phenyliodanium;(2-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(3-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-nitrophenyl)-phenyliodanium;[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium (PubChem CID 159973413) has the molecular formula C120H121F6I8NO4+8 and a molecular weight of 2770.51 g/mol. Its IUPAC name is bis(4-fluorophenyl)iodanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]iodanium;(4-fluorophenyl)-phenyliodanium;(2-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(3-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-nitrophenyl)-phenyliodanium;[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium.

Molecular Properties

Compound Namebis(4-fluorophenyl)iodanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]iodanium;(4-fluorophenyl)-phenyliodanium;(2-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(3-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-nitrophenyl)-phenyliodanium;[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium
PubChem CID159973413
Molecular FormulaC120H121F6I8NO4+8
Molecular Weight2770.51 g/mol
Exact Mass2769.15
IUPAC Namebis(4-fluorophenyl)iodanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]iodanium;(4-fluorophenyl)-phenyliodanium;(2-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(3-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-nitrophenyl)-phenyliodanium;[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium
SMILESCC(C)(C)Oc1ccc([I+]c2ccc(OC(C)(C)C)cc2)cc1.Cc1cc(C)c([I+]c2ccc(C(F)(F)F)cc2)c(C)c1.Cc1cc(C)c([I+]c2ccccc2C)c(C)c1.Cc1ccc([I+]c2c(C)cc(C)cc2C)cc1.Cc1cccc([I+]c2c(C)cc(C)cc2C)c1.Fc1ccc([I+]c2ccc(F)cc2)cc1.Fc1ccc([I+]c2ccccc2)cc1.O=[N+]([O-])c1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C20H26IO2.C16H15F3I.3C16H18I.C12H8F2I.C12H9FI.C12H9INO2/c1-19(2,3)22-17-11-7-15(8-12-17)21-16-9-13-18(14-10-16)23-20(4,5)6;1-10-8-11(2)15(12(3)9-10)20-14-6-4-13(5-7-14)16(17,18)19;1-11-5-7-15(8-6-11)17-16-13(3)9-12(2)10-14(16)4;1-11-6-5-7-15(10-11)17-16-13(3)8-12(2)9-14(16)4;1-11-9-13(3)16(14(4)10-11)17-15-8-6-5-7-12(15)2;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h7-14H,1-6H3;4-9H,1-3H3;3*5-10H,1-4H3;1-8H;1-9H;1-9H/q8*+1
InChIKeyOEVQIGCFBINUJC-UHFFFAOYSA-N
XLogP6.85
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms139
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002770.51
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze bis(4-fluorophenyl)iodanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]iodanium;(4-fluorophenyl)-phenyliodanium;(2-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(3-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-nitrophenyl)-phenyliodanium;[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-methylphenyl)iodanium;diphenyliodanium
CID 159038581
bis(4-tert-butylphenyl)iodanium;bis(4-cyclohexylphenyl)iodanium;bis(4-methoxyphenyl)iodanium;bis[4-(2-methylbutan-2-yloxy)phenyl]iodanium;bis(4-methylphenyl)iodanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]iodanium;bis(4-propan-2-ylphenyl)iodanium;(4-bromophenyl)-phenyliodanium;(4-chlorophenyl)-phenyliodanium;(4-cyclohexylphenyl)-phenyliodanium;(4-cyclohexylphenyl)-(4-propan-2-ylphenyl)iodanium;(3,5-dimethylphenyl)-(4-methylphenyl)iodanium;(3,5-dimethylphenyl)-(4-propan-2-ylphenyl)iodanium;diphenyliodanium;(4-fluorophenyl)-phenyliodanium;(4-iodophenyl)-phenyliodanium;(4-methoxyphenyl)-phenyliodanium;(4-methylphenyl)-phenyliodanium;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;(4-nitrophenyl)-phenyliodanium;phenyl-(4-propan-2-ylphenyl)iodanium
CID 167531449
diphenyliodanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenyliodanium;bis(trifluoromethanesulfonate)
CID 158777761
bis(4-tert-butylphenyl)iodanium;bis(4-methylphenyl)iodanium;(4-tert-butylphenyl)-phenyliodanium;diphenyliodanium;(4-fluorophenyl)-phenyliodanium;(4-hydroxyphenyl)-phenyliodanium;(4-methylphenyl)-phenyliodanium;phenyl-(2,4,6-tricyclohexylphenyl)iodanium;phenyl-[3-(trifluoromethyl)phenyl]iodanium;phenyl-(2,4,6-trimethylphenyl)iodanium;phenyl-[2,4,6-tri(propan-2-yl)phenyl]iodanium
CID 157489539
[3-(2-phenylpropan-2-yl)phenyl]-(2,4,6-trimethylphenyl)iodanium;trifluoromethanesulfonate
CID 139269803
bis(4-fluorophenyl)-phenylsulfanium;(2,4-dimethylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium
CID 161050471
4-methylbenzenesulfonate;phenyl-(2,4,6-trimethylphenyl)iodanium
CID 172789207
bis(3,4-dimethylphenyl)iodanium;bis(4-ethylphenyl)iodanium;bis(4-methylphenyl)iodanium;bis(4-nitrophenyl)iodanium;(4-tert-butylphenyl)-phenyliodanium;(4-tert-butylphenyl)-(4-propylphenyl)iodanium;(3,4-dimethylphenyl)-phenyliodanium;(4-ethylphenyl)-phenyliodanium;(4-methylphenyl)-phenyliodanium;(3-nitrophenyl)-phenyliodanium;(4-nitrophenyl)-phenyliodanium;phenyl-(4-propan-2-ylphenyl)iodanium;(4-propan-2-ylphenyl)-(4-propylphenyl)iodanium
CID 159211672
1,4-dimethyl-2-(4-nitrophenoxy)benzene
CID 22164458
[1-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methylphenyl)ethyl] 4-nitrobenzoate
CID 101172812
1-fluoro-3-methyl-5-[(2-methylpropan-2-yl)oxy]benzene;1-methoxy-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;(2-methylpropan-2-yl)oxybenzene
CID 158805724
1-methyl-3-(4-nitrophenoxy)benzene
CID 16816

Frequently Asked Questions

What is the IUPAC name of bis(4-fluorophenyl)iodanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]iodanium;(4-fluorophenyl)-phenyliodanium;(2-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(3-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-nitrophenyl)-phenyliodanium;[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium?
The IUPAC name of bis(4-fluorophenyl)iodanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]iodanium;(4-fluorophenyl)-phenyliodanium;(2-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(3-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-nitrophenyl)-phenyliodanium;[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium (CID 159973413) is bis(4-fluorophenyl)iodanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]iodanium;(4-fluorophenyl)-phenyliodanium;(2-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(3-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-nitrophenyl)-phenyliodanium;[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium.
What is the SMILES notation for bis(4-fluorophenyl)iodanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]iodanium;(4-fluorophenyl)-phenyliodanium;(2-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(3-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-nitrophenyl)-phenyliodanium;[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium?
The canonical SMILES for bis(4-fluorophenyl)iodanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]iodanium;(4-fluorophenyl)-phenyliodanium;(2-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(3-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-nitrophenyl)-phenyliodanium;[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium is CC(C)(C)Oc1ccc([I+]c2ccc(OC(C)(C)C)cc2)cc1.Cc1cc(C)c([I+]c2ccc(C(F)(F)F)cc2)c(C)c1.Cc1cc(C)c([I+]c2ccccc2C)c(C)c1.Cc1ccc([I+]c2c(C)cc(C)cc2C)cc1.Cc1cccc([I+]c2c(C)cc(C)cc2C)c1.Fc1ccc([I+]c2ccc(F)cc2)cc1.Fc1ccc([I+]c2ccccc2)cc1.O=[N+]([O-])c1ccc([I+]c2ccccc2)cc1.
What is the InChIKey of bis(4-fluorophenyl)iodanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]iodanium;(4-fluorophenyl)-phenyliodanium;(2-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(3-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-nitrophenyl)-phenyliodanium;[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium?
The InChIKey is OEVQIGCFBINUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26IO2.C16H15F3I.3C16H18I.C12H8F2I.C12H9FI.C12H9INO2/c1-19(2,3)22-17-11-7-15(8-12-17)21-16-9-13-18(14-10-16)23-20(4,5)6;1-10-8-11(2)15(12(3)9-10)20-14-6-4-13(5-7-14)16(17,18)19;1-11-5-7-15(8-6-11)17-16-13(3)9-12(2)10-14(16)4;1-11-6-5-7-15(10-11)17-16-13(3)8-12(2)9-14(16)4;1-11-9-13(3)16(14(4)10-11)17-15-8-6-5-7-12(15)2;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h7-14H,1-6H3;4-9H,1-3H3;3*5-10H,1-4H3;1-8H;1-9H;1-9H/q8*+1.
What are the key properties of bis(4-fluorophenyl)iodanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]iodanium;(4-fluorophenyl)-phenyliodanium;(2-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(3-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-nitrophenyl)-phenyliodanium;[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium?
bis(4-fluorophenyl)iodanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]iodanium;(4-fluorophenyl)-phenyliodanium;(2-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(3-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-nitrophenyl)-phenyliodanium;[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium has a molecular weight of 2770.51 g/mol, XLogP of 6.85, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)iodanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]iodanium;(4-fluorophenyl)-phenyliodanium;(2-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(3-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;(4-nitrophenyl)-phenyliodanium;[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium is sourced from PubChem (CID 159973413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).