9-bromo-10-(2-phenylphenoxy)anthracene

C26H17BrO — CID 86096459

IUPAC9-bromo-10-(2-phenylphenoxy)anthracene
SMILESBrc1c2ccccc2c(Oc2ccccc2-c2ccccc2)c2ccccc12
InChIInChI=1S/C26H17BrO/c27-25-20-13-4-6-15-22(20)26(23-16-7-5-14-21(23)25)28-24-17-9-8-12-19(24)18-10-2-1-3-11-18/h1-17H
InChIKeyIUCJLZMJUZDVCX-UHFFFAOYSA-N
MW425.33 g/mol
LogP8.21
Rot. Bonds3

About 9-bromo-10-(2-phenylphenoxy)anthracene

9-bromo-10-(2-phenylphenoxy)anthracene (PubChem CID 86096459) has the molecular formula C26H17BrO and a molecular weight of 425.33 g/mol. Its IUPAC name is 9-bromo-10-(2-phenylphenoxy)anthracene.

Molecular Properties

Compound Name9-bromo-10-(2-phenylphenoxy)anthracene
PubChem CID86096459
Molecular FormulaC26H17BrO
Molecular Weight425.33 g/mol
Exact Mass424.05
IUPAC Name9-bromo-10-(2-phenylphenoxy)anthracene
SMILESBrc1c2ccccc2c(Oc2ccccc2-c2ccccc2)c2ccccc12
InChIInChI=1S/C26H17BrO/c27-25-20-13-4-6-15-22(20)26(23-16-7-5-14-21(23)25)28-24-17-9-8-12-19(24)18-10-2-1-3-11-18/h1-17H
InChIKeyIUCJLZMJUZDVCX-UHFFFAOYSA-N
XLogP8.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.33
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-10-(2-phenylphenoxy)anthracene?
The IUPAC name of 9-bromo-10-(2-phenylphenoxy)anthracene (CID 86096459) is 9-bromo-10-(2-phenylphenoxy)anthracene.
What is the SMILES notation for 9-bromo-10-(2-phenylphenoxy)anthracene?
The canonical SMILES for 9-bromo-10-(2-phenylphenoxy)anthracene is Brc1c2ccccc2c(Oc2ccccc2-c2ccccc2)c2ccccc12.
What is the InChIKey of 9-bromo-10-(2-phenylphenoxy)anthracene?
The InChIKey is IUCJLZMJUZDVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17BrO/c27-25-20-13-4-6-15-22(20)26(23-16-7-5-14-21(23)25)28-24-17-9-8-12-19(24)18-10-2-1-3-11-18/h1-17H.
What are the key properties of 9-bromo-10-(2-phenylphenoxy)anthracene?
9-bromo-10-(2-phenylphenoxy)anthracene has a molecular weight of 425.33 g/mol, XLogP of 8.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10-(2-phenylphenoxy)anthracene is sourced from PubChem (CID 86096459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).