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

C178H192F4I11O+11 — CID 157489539

IUPACbis(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
SMILESCC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([I+]c2ccccc2)cc1.CC(C)c1cc(C(C)C)c([I+]c2ccccc2)c(C(C)C)c1.Cc1cc(C)c([I+]c2ccccc2)c(C)c1.Cc1ccc([I+]c2ccc(C)cc2)cc1.Cc1ccc([I+]c2ccccc2)cc1.FC(F)(F)c1cccc([I+]c2ccccc2)c1.Fc1ccc([I+]c2ccccc2)cc1.Oc1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1.c1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C30H40I.C21H28I.C20H26I.C16H18I.C15H16I.C14H14I.C13H9F3I.C13H12I.C12H9FI.C12H9IO.C12H10I/c1-5-13-23(14-6-1)26-21-28(24-15-7-2-8-16-24)30(31-27-19-11-4-12-20-27)29(22-26)25-17-9-3-10-18-25;1-14(2)17-12-19(15(3)4)21(20(13-17)16(5)6)22-18-10-8-7-9-11-18;1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;1-11-9-12(2)15(13(3)10-11)16-14-7-5-4-6-8-14;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;14-13(15,16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11;1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12;13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4,11-12,19-25H,1-3,5-10,13-18H2;7-16H,1-6H3;7-14H,1-6H3;4-12H,1-3H3;4-10H,1-3H3;3-10H,1-2H3;1-9H;2-10H,1H3;2*1-9H;1-10H/q9*+1;;+1/p+1
InChIKeyBXCMQWVGNPVUNG-UHFFFAOYSA-O
MW3819.43 g/mol
LogP14.08
Rot. Bonds28

About 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

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 (PubChem CID 157489539) has the molecular formula C178H192F4I11O+11 and a molecular weight of 3819.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID157489539
Molecular FormulaC178H192F4I11O+11
Molecular Weight3819.43 g/mol
Exact Mass3817.43
IUPAC Namebis(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
SMILESCC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([I+]c2ccccc2)cc1.CC(C)c1cc(C(C)C)c([I+]c2ccccc2)c(C(C)C)c1.Cc1cc(C)c([I+]c2ccccc2)c(C)c1.Cc1ccc([I+]c2ccc(C)cc2)cc1.Cc1ccc([I+]c2ccccc2)cc1.FC(F)(F)c1cccc([I+]c2ccccc2)c1.Fc1ccc([I+]c2ccccc2)cc1.Oc1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1.c1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C30H40I.C21H28I.C20H26I.C16H18I.C15H16I.C14H14I.C13H9F3I.C13H12I.C12H9FI.C12H9IO.C12H10I/c1-5-13-23(14-6-1)26-21-28(24-15-7-2-8-16-24)30(31-27-19-11-4-12-20-27)29(22-26)25-17-9-3-10-18-25;1-14(2)17-12-19(15(3)4)21(20(13-17)16(5)6)22-18-10-8-7-9-11-18;1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;1-11-9-12(2)15(13(3)10-11)16-14-7-5-4-6-8-14;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;14-13(15,16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11;1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12;13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4,11-12,19-25H,1-3,5-10,13-18H2;7-16H,1-6H3;7-14H,1-6H3;4-12H,1-3H3;4-10H,1-3H3;3-10H,1-2H3;1-9H;2-10H,1H3;2*1-9H;1-10H/q9*+1;;+1/p+1
InChIKeyBXCMQWVGNPVUNG-UHFFFAOYSA-O
XLogP14.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds28
Heavy Atoms194
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003819.43
LogP ≤ 514.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-methylphenyl)iodanium;diphenyliodanium
CID 159038581
[3-(2-phenylpropan-2-yl)phenyl]-(2,4,6-trimethylphenyl)iodanium;trifluoromethanesulfonate
CID 139269803
phenyl-[3-(trifluoromethyl)phenyl]iodanium bromide
CID 171372621
benzenesulfonyl-(2,4,6-tricyclohexylphenyl)sulfonylazanide;bis[(2,4,6-tricyclohexylphenyl)sulfonyl]azanide;(4-methylphenyl)sulfonyl-(2,4,6-tricyclohexylphenyl)sulfonylazanide;(2,4,6-tricyclohexylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;(2,4,6-tricyclohexylphenyl)sulfonyl-[2,4,6-tri(propan-2-yl)phenyl]sulfonylazanide
CID 159508483
pentakis(benzene-1,3-diol);1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-phenyl-4-propan-2-ylbenzene;propane
CID 158005852
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
2-cyclohexyl-5-(trifluoromethyl)phenol
CID 117104272
tert-butylbenzene;cyclohexylbenzene
CID 158089404
2,6-di(propan-2-yl)benzenesulfonic acid;[3-[3-methyl-5-(trifluoromethyl)phenoxy]-3-phenylpropyl] 2,4,6-tri(propan-2-yl)benzenesulfonate;2,4,6-tricyclohexylbenzenesulfonic acid;2,4,6-tri(propan-2-yl)benzenesulfonic acid
CID 158052336
2-cyclopentyl-5-(trifluoromethyl)phenol
CID 117104152
1-tert-butyl-4-propan-2-ylbenzene;cumene;(E)-3,4-dimethylpent-2-ene;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene
CID 176687411
2,6-di(propan-2-yl)benzenesulfonic acid;2,3,5,6-tetracyclohexylbenzenesulfonic acid;2,4,6-tritert-butylbenzenesulfonic acid;2,4,6-tricyclohexylbenzenesulfonic acid;2,4,6-tri(propan-2-yl)benzenesulfonic acid
CID 159389377

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([I+]c2ccccc2)cc1.CC(C)c1cc(C(C)C)c([I+]c2ccccc2)c(C(C)C)c1.Cc1cc(C)c([I+]c2ccccc2)c(C)c1.Cc1ccc([I+]c2ccc(C)cc2)cc1.Cc1ccc([I+]c2ccccc2)cc1.FC(F)(F)c1cccc([I+]c2ccccc2)c1.Fc1ccc([I+]c2ccccc2)cc1.Oc1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1.c1ccc([I+]c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is BXCMQWVGNPVUNG-UHFFFAOYSA-O. The full InChI is InChI=1S/C30H40I.C21H28I.C20H26I.C16H18I.C15H16I.C14H14I.C13H9F3I.C13H12I.C12H9FI.C12H9IO.C12H10I/c1-5-13-23(14-6-1)26-21-28(24-15-7-2-8-16-24)30(31-27-19-11-4-12-20-27)29(22-26)25-17-9-3-10-18-25;1-14(2)17-12-19(15(3)4)21(20(13-17)16(5)6)22-18-10-8-7-9-11-18;1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;1-11-9-12(2)15(13(3)10-11)16-14-7-5-4-6-8-14;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;14-13(15,16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11;1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12;13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4,11-12,19-25H,1-3,5-10,13-18H2;7-16H,1-6H3;7-14H,1-6H3;4-12H,1-3H3;4-10H,1-3H3;3-10H,1-2H3;1-9H;2-10H,1H3;2*1-9H;1-10H/q9*+1;;+1/p+1.
What are the key properties of 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?
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 has a molecular weight of 3819.43 g/mol, XLogP of 14.08, 28 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157489539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).