2,5-diiodobenzene-1,4-diol;4-fluoro-2-hydroxybenzoic acid;2-hydroxy-4-(4-hydroxy-2,5-diiodophenoxy)benzoic acid;bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);methane

C67H45F13I6O10S2+2 — CID 165021299

About 2,5-diiodobenzene-1,4-diol;4-fluoro-2-hydroxybenzoic acid;2-hydroxy-4-(4-hydroxy-2,5-diiodophenoxy)benzoic acid;bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);methane

2,5-diiodobenzene-1,4-diol;4-fluoro-2-hydroxybenzoic acid;2-hydroxy-4-(4-hydroxy-2,5-diiodophenoxy)benzoic acid;bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);methane (PubChem CID 165021299) has the molecular formula C67H45F13I6O10S2+2 and a molecular weight of 2082.62 g/mol. Its IUPAC name is 2,5-diiodobenzene-1,4-diol;4-fluoro-2-hydroxybenzoic acid;2-hydroxy-4-(4-hydroxy-2,5-diiodophenoxy)benzoic acid;bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);methane.

Molecular Properties

• Compound Name: 2,5-diiodobenzene-1,4-diol;4-fluoro-2-hydroxybenzoic acid;2-hydroxy-4-(4-hydroxy-2,5-diiodophenoxy)benzoic acid;bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);methane
• PubChem CID: 165021299
• Molecular Formula: C67H45F13I6O10S2+2
• Molecular Weight: 2082.62 g/mol
• Exact Mass: 2081.65
• IUPAC Name: 2,5-diiodobenzene-1,4-diol;4-fluoro-2-hydroxybenzoic acid;2-hydroxy-4-(4-hydroxy-2,5-diiodophenoxy)benzoic acid;bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);methane
• SMILES: C.FC(F)(F)c1ccc([S+](c2ccc(I)cc2)c2ccc(C(F)(F)F)cc2)cc1.FC(F)(F)c1ccc([S+](c2ccc(I)cc2)c2ccc(C(F)(F)F)cc2)cc1.O=C(O)c1ccc(F)cc1O.O=C(O)c1ccc(Oc2cc(I)c(O)cc2I)cc1O.Oc1cc(I)c(O)cc1I
• InChI: InChI=1S/2C20H12F6IS.C13H8I2O5.C7H5FO3.C6H4I2O2.CH4/c2*21-19(22,23)13-1-7-16(8-2-13)28(18-11-5-15(27)6-12-18)17-9-3-14(4-10-17)20(24,25)26;14-8-5-12(9(15)4-11(8)17)20-6-1-2-7(13(18)19)10(16)3-6;8-4-1-2-5(7(10)11)6(9)3-4;7-3-1-5(9)4(8)2-6(3)10;/h2*1-12H;1-5,16-17H,(H,18,19);1-3,9H,(H,10,11);1-2,9-10H;1H4/q2*+1
• InChIKey: LEWQGJXYQALWEY-UHFFFAOYSA-N
• XLogP: 22.82
• TPSA: 184.98 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2082.62
LogP ≤ 5	22.82
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,5-diiodobenzene-1,4-diol;4-fluoro-2-hydroxybenzoic acid;2-hydroxy-4-(4-hydroxy-2,5-diiodophenoxy)benzoic acid;bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);methane?

The IUPAC name of 2,5-diiodobenzene-1,4-diol;4-fluoro-2-hydroxybenzoic acid;2-hydroxy-4-(4-hydroxy-2,5-diiodophenoxy)benzoic acid;bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);methane (CID 165021299) is 2,5-diiodobenzene-1,4-diol;4-fluoro-2-hydroxybenzoic acid;2-hydroxy-4-(4-hydroxy-2,5-diiodophenoxy)benzoic acid;bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);methane.

What is the SMILES notation for 2,5-diiodobenzene-1,4-diol;4-fluoro-2-hydroxybenzoic acid;2-hydroxy-4-(4-hydroxy-2,5-diiodophenoxy)benzoic acid;bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);methane?

The canonical SMILES for 2,5-diiodobenzene-1,4-diol;4-fluoro-2-hydroxybenzoic acid;2-hydroxy-4-(4-hydroxy-2,5-diiodophenoxy)benzoic acid;bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);methane is C.FC(F)(F)c1ccc([S+](c2ccc(I)cc2)c2ccc(C(F)(F)F)cc2)cc1.FC(F)(F)c1ccc([S+](c2ccc(I)cc2)c2ccc(C(F)(F)F)cc2)cc1.O=C(O)c1ccc(F)cc1O.O=C(O)c1ccc(Oc2cc(I)c(O)cc2I)cc1O.Oc1cc(I)c(O)cc1I.

What is the InChIKey of 2,5-diiodobenzene-1,4-diol;4-fluoro-2-hydroxybenzoic acid;2-hydroxy-4-(4-hydroxy-2,5-diiodophenoxy)benzoic acid;bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);methane?

The InChIKey is LEWQGJXYQALWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H12F6IS.C13H8I2O5.C7H5FO3.C6H4I2O2.CH4/c2*21-19(22,23)13-1-7-16(8-2-13)28(18-11-5-15(27)6-12-18)17-9-3-14(4-10-17)20(24,25)26;14-8-5-12(9(15)4-11(8)17)20-6-1-2-7(13(18)19)10(16)3-6;8-4-1-2-5(7(10)11)6(9)3-4;7-3-1-5(9)4(8)2-6(3)10;/h2*1-12H;1-5,16-17H,(H,18,19);1-3,9H,(H,10,11);1-2,9-10H;1H4/q2*+1;;;;.

What are the key properties of 2,5-diiodobenzene-1,4-diol;4-fluoro-2-hydroxybenzoic acid;2-hydroxy-4-(4-hydroxy-2,5-diiodophenoxy)benzoic acid;bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);methane?

2,5-diiodobenzene-1,4-diol;4-fluoro-2-hydroxybenzoic acid;2-hydroxy-4-(4-hydroxy-2,5-diiodophenoxy)benzoic acid;bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);methane has a molecular weight of 2082.62 g/mol, XLogP of 22.82, 10 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-diiodobenzene-1,4-diol;4-fluoro-2-hydroxybenzoic acid;2-hydroxy-4-(4-hydroxy-2,5-diiodophenoxy)benzoic acid;bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);methane is sourced from PubChem (CID 165021299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).