9-(4-iodophenoxy)-10-(4-iodophenyl)anthracene

C26H16I2O — CID 169224916

IUPAC9-(4-iodophenoxy)-10-(4-iodophenyl)anthracene
SMILESIc1ccc(Oc2c3ccccc3c(-c3ccc(I)cc3)c3ccccc23)cc1
InChIInChI=1S/C26H16I2O/c27-18-11-9-17(10-12-18)25-21-5-1-3-7-23(21)26(24-8-4-2-6-22(24)25)29-20-15-13-19(28)14-16-20/h1-16H
InChIKeyZVHDVPFKIJZVKB-UHFFFAOYSA-N
MW598.22 g/mol
LogP8.66
Rot. Bonds3

About 9-(4-iodophenoxy)-10-(4-iodophenyl)anthracene

9-(4-iodophenoxy)-10-(4-iodophenyl)anthracene (PubChem CID 169224916) has the molecular formula C26H16I2O and a molecular weight of 598.22 g/mol. Its IUPAC name is 9-(4-iodophenoxy)-10-(4-iodophenyl)anthracene.

Molecular Properties

Compound Name9-(4-iodophenoxy)-10-(4-iodophenyl)anthracene
PubChem CID169224916
Molecular FormulaC26H16I2O
Molecular Weight598.22 g/mol
Exact Mass597.93
IUPAC Name9-(4-iodophenoxy)-10-(4-iodophenyl)anthracene
SMILESIc1ccc(Oc2c3ccccc3c(-c3ccc(I)cc3)c3ccccc23)cc1
InChIInChI=1S/C26H16I2O/c27-18-11-9-17(10-12-18)25-21-5-1-3-7-23(21)26(24-8-4-2-6-22(24)25)29-20-15-13-19(28)14-16-20/h1-16H
InChIKeyZVHDVPFKIJZVKB-UHFFFAOYSA-N
XLogP8.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.22
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-(4-iodophenoxy)-10-(4-iodophenyl)anthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(4-iodophenoxy)-10-(4-iodophenyl)anthracene?
The IUPAC name of 9-(4-iodophenoxy)-10-(4-iodophenyl)anthracene (CID 169224916) is 9-(4-iodophenoxy)-10-(4-iodophenyl)anthracene.
What is the SMILES notation for 9-(4-iodophenoxy)-10-(4-iodophenyl)anthracene?
The canonical SMILES for 9-(4-iodophenoxy)-10-(4-iodophenyl)anthracene is Ic1ccc(Oc2c3ccccc3c(-c3ccc(I)cc3)c3ccccc23)cc1.
What is the InChIKey of 9-(4-iodophenoxy)-10-(4-iodophenyl)anthracene?
The InChIKey is ZVHDVPFKIJZVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16I2O/c27-18-11-9-17(10-12-18)25-21-5-1-3-7-23(21)26(24-8-4-2-6-22(24)25)29-20-15-13-19(28)14-16-20/h1-16H.
What are the key properties of 9-(4-iodophenoxy)-10-(4-iodophenyl)anthracene?
9-(4-iodophenoxy)-10-(4-iodophenyl)anthracene has a molecular weight of 598.22 g/mol, XLogP of 8.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-iodophenoxy)-10-(4-iodophenyl)anthracene is sourced from PubChem (CID 169224916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).