9-(3-phenylphenoxy)anthracene

C26H18O — CID 86096458

IUPAC9-(3-phenylphenoxy)anthracene
SMILESc1ccc(-c2cccc(Oc3c4ccccc4cc4ccccc34)c2)cc1
InChIInChI=1S/C26H18O/c1-2-9-19(10-3-1)20-13-8-14-23(18-20)27-26-24-15-6-4-11-21(24)17-22-12-5-7-16-25(22)26/h1-18H
InChIKeySIUDGQSUXHEWJN-UHFFFAOYSA-N
MW346.43 g/mol
LogP7.45
Rot. Bonds3

About 9-(3-phenylphenoxy)anthracene

9-(3-phenylphenoxy)anthracene (PubChem CID 86096458) has the molecular formula C26H18O and a molecular weight of 346.43 g/mol. Its IUPAC name is 9-(3-phenylphenoxy)anthracene.

Molecular Properties

Compound Name9-(3-phenylphenoxy)anthracene
PubChem CID86096458
Molecular FormulaC26H18O
Molecular Weight346.43 g/mol
Exact Mass346.14
IUPAC Name9-(3-phenylphenoxy)anthracene
SMILESc1ccc(-c2cccc(Oc3c4ccccc4cc4ccccc34)c2)cc1
InChIInChI=1S/C26H18O/c1-2-9-19(10-3-1)20-13-8-14-23(18-20)27-26-24-15-6-4-11-21(24)17-22-12-5-7-16-25(22)26/h1-18H
InChIKeySIUDGQSUXHEWJN-UHFFFAOYSA-N
XLogP7.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-(3-phenylphenoxy)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-(3-phenylphenoxy)anthracene?
The IUPAC name of 9-(3-phenylphenoxy)anthracene (CID 86096458) is 9-(3-phenylphenoxy)anthracene.
What is the SMILES notation for 9-(3-phenylphenoxy)anthracene?
The canonical SMILES for 9-(3-phenylphenoxy)anthracene is c1ccc(-c2cccc(Oc3c4ccccc4cc4ccccc34)c2)cc1.
What is the InChIKey of 9-(3-phenylphenoxy)anthracene?
The InChIKey is SIUDGQSUXHEWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O/c1-2-9-19(10-3-1)20-13-8-14-23(18-20)27-26-24-15-6-4-11-21(24)17-22-12-5-7-16-25(22)26/h1-18H.
What are the key properties of 9-(3-phenylphenoxy)anthracene?
9-(3-phenylphenoxy)anthracene has a molecular weight of 346.43 g/mol, XLogP of 7.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-phenylphenoxy)anthracene is sourced from PubChem (CID 86096458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).