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

C191H196I13N4O8+13 — CID 159211672

About 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

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 (PubChem CID 159211672) has the molecular formula C191H196I13N4O8+13 and a molecular weight of 4325.44 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159211672
• Molecular Formula: C191H196I13N4O8+13
• Molecular Weight: 4325.44 g/mol
• Exact Mass: 4323.26
• IUPAC Name: 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
• SMILES: CC(C)(C)c1ccc([I+]c2ccccc2)cc1.CC(C)c1ccc([I+]c2ccccc2)cc1.CCCc1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CCCc1ccc([I+]c2ccc(C(C)C)cc2)cc1.CCc1ccc([I+]c2ccc(CC)cc2)cc1.CCc1ccc([I+]c2ccccc2)cc1.Cc1ccc([I+]c2ccc(C)c(C)c2)cc1C.Cc1ccc([I+]c2ccc(C)cc2)cc1.Cc1ccc([I+]c2ccccc2)cc1.Cc1ccc([I+]c2ccccc2)cc1C.O=[N+]([O-])c1ccc([I+]c2ccc([N+](=O)[O-])cc2)cc1.O=[N+]([O-])c1ccc([I+]c2ccccc2)cc1.O=[N+]([O-])c1cccc([I+]c2ccccc2)c1
• InChI: InChI=1S/C19H24I.C18H22I.3C16H18I.C15H16I.3C14H14I.C13H12I.C12H8IN2O4.2C12H9INO2/c1-5-6-15-7-11-17(12-8-15)20-18-13-9-16(10-14-18)19(2,3)4;1-4-5-15-6-10-17(11-7-15)19-18-12-8-16(9-13-18)14(2)3;1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16;1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;1-3-13-5-9-15(10-6-13)17-16-11-7-14(4-2)8-12-16;1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-8-9-14(10-12(11)2)15-13-6-4-3-5-7-13;1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13;1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12;16-14(17)11-5-1-9(2-6-11)13-10-3-7-12(8-4-10)15(18)19;15-14(16)12-8-4-7-11(9-12)13-10-5-2-1-3-6-10;15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h7-14H,5-6H2,1-4H3;6-14H,4-5H2,1-3H3;5-10H,1-4H3;4-12H,1-3H3;5-12H,3-4H2,1-2H3;3-12H,1-2H3;2*3-10H,1-2H3;3-11H,2H2,1H3;2-10H,1H3;1-8H;2*1-9H/q13*+1
• InChIKey: KQOJDPUMYXZGRP-UHFFFAOYSA-N
• XLogP: 8.44
• TPSA: 172.56 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 39
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	4325.44
LogP ≤ 5	8.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)c1ccc([I+]c2ccccc2)cc1.CC(C)c1ccc([I+]c2ccccc2)cc1.CCCc1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CCCc1ccc([I+]c2ccc(C(C)C)cc2)cc1.CCc1ccc([I+]c2ccc(CC)cc2)cc1.CCc1ccc([I+]c2ccccc2)cc1.Cc1ccc([I+]c2ccc(C)c(C)c2)cc1C.Cc1ccc([I+]c2ccc(C)cc2)cc1.Cc1ccc([I+]c2ccccc2)cc1.Cc1ccc([I+]c2ccccc2)cc1C.O=[N+]([O-])c1ccc([I+]c2ccc([N+](=O)[O-])cc2)cc1.O=[N+]([O-])c1ccc([I+]c2ccccc2)cc1.O=[N+]([O-])c1cccc([I+]c2ccccc2)c1.

What is the InChIKey of 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?

The InChIKey is KQOJDPUMYXZGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24I.C18H22I.3C16H18I.C15H16I.3C14H14I.C13H12I.C12H8IN2O4.2C12H9INO2/c1-5-6-15-7-11-17(12-8-15)20-18-13-9-16(10-14-18)19(2,3)4;1-4-5-15-6-10-17(11-7-15)19-18-12-8-16(9-13-18)14(2)3;1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16;1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;1-3-13-5-9-15(10-6-13)17-16-11-7-14(4-2)8-12-16;1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-8-9-14(10-12(11)2)15-13-6-4-3-5-7-13;1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13;1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12;16-14(17)11-5-1-9(2-6-11)13-10-3-7-12(8-4-10)15(18)19;15-14(16)12-8-4-7-11(9-12)13-10-5-2-1-3-6-10;15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h7-14H,5-6H2,1-4H3;6-14H,4-5H2,1-3H3;5-10H,1-4H3;4-12H,1-3H3;5-12H,3-4H2,1-2H3;3-12H,1-2H3;2*3-10H,1-2H3;3-11H,2H2,1H3;2-10H,1H3;1-8H;2*1-9H/q13*+1.

What are the key properties of 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?

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 has a molecular weight of 4325.44 g/mol, XLogP of 8.44, 39 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159211672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).