bis(9-oxoxanthen-2-yl)iodanium

C26H14IO4+ — CID 23034927

IUPACbis(9-oxoxanthen-2-yl)iodanium
SMILESO=c1c2ccccc2oc2ccc([I+]c3ccc4oc5ccccc5c(=O)c4c3)cc12
InChIInChI=1S/C26H14IO4/c28-25-17-5-1-3-7-21(17)30-23-11-9-15(13-19(23)25)27-16-10-12-24-20(14-16)26(29)18-6-2-4-8-22(18)31-24/h1-14H/q+1
InChIKeyOWQLBJCOFTWIIE-UHFFFAOYSA-N
MW517.30 g/mol
LogP2.33
Rot. Bonds2

About bis(9-oxoxanthen-2-yl)iodanium

bis(9-oxoxanthen-2-yl)iodanium (PubChem CID 23034927) has the molecular formula C26H14IO4+ and a molecular weight of 517.30 g/mol. Its IUPAC name is bis(9-oxoxanthen-2-yl)iodanium.

Molecular Properties

Compound Namebis(9-oxoxanthen-2-yl)iodanium
PubChem CID23034927
Molecular FormulaC26H14IO4+
Molecular Weight517.30 g/mol
Exact Mass516.99
IUPAC Namebis(9-oxoxanthen-2-yl)iodanium
SMILESO=c1c2ccccc2oc2ccc([I+]c3ccc4oc5ccccc5c(=O)c4c3)cc12
InChIInChI=1S/C26H14IO4/c28-25-17-5-1-3-7-21(17)30-23-11-9-15(13-19(23)25)27-16-10-12-24-20(14-16)26(29)18-6-2-4-8-22(18)31-24/h1-14H/q+1
InChIKeyOWQLBJCOFTWIIE-UHFFFAOYSA-N
XLogP2.33
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(9-oxoxanthen-2-yl)iodanium?
The IUPAC name of bis(9-oxoxanthen-2-yl)iodanium (CID 23034927) is bis(9-oxoxanthen-2-yl)iodanium.
What is the SMILES notation for bis(9-oxoxanthen-2-yl)iodanium?
The canonical SMILES for bis(9-oxoxanthen-2-yl)iodanium is O=c1c2ccccc2oc2ccc([I+]c3ccc4oc5ccccc5c(=O)c4c3)cc12.
What is the InChIKey of bis(9-oxoxanthen-2-yl)iodanium?
The InChIKey is OWQLBJCOFTWIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14IO4/c28-25-17-5-1-3-7-21(17)30-23-11-9-15(13-19(23)25)27-16-10-12-24-20(14-16)26(29)18-6-2-4-8-22(18)31-24/h1-14H/q+1.
What are the key properties of bis(9-oxoxanthen-2-yl)iodanium?
bis(9-oxoxanthen-2-yl)iodanium has a molecular weight of 517.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9-oxoxanthen-2-yl)iodanium is sourced from PubChem (CID 23034927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).