(2,5-dicarboxy-4-phenyliodoniophenyl)-phenyliodanium

C20H14I2O4+2 — CID 101207656

IUPAC(2,5-dicarboxy-4-phenyliodoniophenyl)-phenyliodanium
SMILESO=C(O)c1cc([I+]c2ccccc2)c(C(=O)O)cc1[I+]c1ccccc1
InChIInChI=1S/C20H12I2O4/c23-19(24)15-12-18(22-14-9-5-2-6-10-14)16(20(25)26)11-17(15)21-13-7-3-1-4-8-13/h1-12H/p+2
InChIKeyPTNILSWCCLOPHU-UHFFFAOYSA-P
MW572.14 g/mol
LogP-2.66
Rot. Bonds6

About (2,5-dicarboxy-4-phenyliodoniophenyl)-phenyliodanium

(2,5-dicarboxy-4-phenyliodoniophenyl)-phenyliodanium (PubChem CID 101207656) has the molecular formula C20H14I2O4+2 and a molecular weight of 572.14 g/mol. Its IUPAC name is (2,5-dicarboxy-4-phenyliodoniophenyl)-phenyliodanium.

Molecular Properties

Compound Name(2,5-dicarboxy-4-phenyliodoniophenyl)-phenyliodanium
PubChem CID101207656
Molecular FormulaC20H14I2O4+2
Molecular Weight572.14 g/mol
Exact Mass571.90
IUPAC Name(2,5-dicarboxy-4-phenyliodoniophenyl)-phenyliodanium
SMILESO=C(O)c1cc([I+]c2ccccc2)c(C(=O)O)cc1[I+]c1ccccc1
InChIInChI=1S/C20H12I2O4/c23-19(24)15-12-18(22-14-9-5-2-6-10-14)16(20(25)26)11-17(15)21-13-7-3-1-4-8-13/h1-12H/p+2
InChIKeyPTNILSWCCLOPHU-UHFFFAOYSA-P
XLogP-2.66
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.14
LogP ≤ 5-2.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-carboxy-3-methylphenyl)-phenyliodanium
CID 13399378
4-nitro-2-phenyliodoniobenzoate
CID 13399375
benzene-1,2,4,5-tetracarboxylic acid;phthalic acid
CID 174433443
CID 66717184
CID 66717184
hydron;phthalic acid
CID 67386665
phthalic acid;hydrobromide
CID 71236392
CID 174469049
CID 174469049
diphenyliodanium;hydroiodide
CID 54604341
benzene-1,2,4,5-tetracarboxylic acid;lanthanum
CID 157172767
magnesium;phthalic acid;dichloride
CID 22501626
dilithium;hydride;phthalic acid
CID 173011412
magnesium;hydride;phthalic acid
CID 173000994

Frequently Asked Questions

What is the IUPAC name of (2,5-dicarboxy-4-phenyliodoniophenyl)-phenyliodanium?
The IUPAC name of (2,5-dicarboxy-4-phenyliodoniophenyl)-phenyliodanium (CID 101207656) is (2,5-dicarboxy-4-phenyliodoniophenyl)-phenyliodanium.
What is the SMILES notation for (2,5-dicarboxy-4-phenyliodoniophenyl)-phenyliodanium?
The canonical SMILES for (2,5-dicarboxy-4-phenyliodoniophenyl)-phenyliodanium is O=C(O)c1cc([I+]c2ccccc2)c(C(=O)O)cc1[I+]c1ccccc1.
What is the InChIKey of (2,5-dicarboxy-4-phenyliodoniophenyl)-phenyliodanium?
The InChIKey is PTNILSWCCLOPHU-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H12I2O4/c23-19(24)15-12-18(22-14-9-5-2-6-10-14)16(20(25)26)11-17(15)21-13-7-3-1-4-8-13/h1-12H/p+2.
What are the key properties of (2,5-dicarboxy-4-phenyliodoniophenyl)-phenyliodanium?
(2,5-dicarboxy-4-phenyliodoniophenyl)-phenyliodanium has a molecular weight of 572.14 g/mol, XLogP of -2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dicarboxy-4-phenyliodoniophenyl)-phenyliodanium is sourced from PubChem (CID 101207656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).