9-bromo-2,6-diphenylanthracene

C26H17Br — CID 58194202

IUPAC9-bromo-2,6-diphenylanthracene
SMILESBrc1c2ccc(-c3ccccc3)cc2cc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C26H17Br/c27-26-24-14-13-20(18-7-3-1-4-8-18)15-23(24)16-22-12-11-21(17-25(22)26)19-9-5-2-6-10-19/h1-17H
InChIKeyDROMEJJXEZPADO-UHFFFAOYSA-N
MW409.33 g/mol
LogP8.09
Rot. Bonds2

About 9-bromo-2,6-diphenylanthracene

9-bromo-2,6-diphenylanthracene (PubChem CID 58194202) has the molecular formula C26H17Br and a molecular weight of 409.33 g/mol. Its IUPAC name is 9-bromo-2,6-diphenylanthracene.

Molecular Properties

Compound Name9-bromo-2,6-diphenylanthracene
PubChem CID58194202
Molecular FormulaC26H17Br
Molecular Weight409.33 g/mol
Exact Mass408.05
IUPAC Name9-bromo-2,6-diphenylanthracene
SMILESBrc1c2ccc(-c3ccccc3)cc2cc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C26H17Br/c27-26-24-14-13-20(18-7-3-1-4-8-18)15-23(24)16-22-12-11-21(17-25(22)26)19-9-5-2-6-10-19/h1-17H
InChIKeyDROMEJJXEZPADO-UHFFFAOYSA-N
XLogP8.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.33
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-2,6-diphenylanthracene?
The IUPAC name of 9-bromo-2,6-diphenylanthracene (CID 58194202) is 9-bromo-2,6-diphenylanthracene.
What is the SMILES notation for 9-bromo-2,6-diphenylanthracene?
The canonical SMILES for 9-bromo-2,6-diphenylanthracene is Brc1c2ccc(-c3ccccc3)cc2cc2ccc(-c3ccccc3)cc12.
What is the InChIKey of 9-bromo-2,6-diphenylanthracene?
The InChIKey is DROMEJJXEZPADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Br/c27-26-24-14-13-20(18-7-3-1-4-8-18)15-23(24)16-22-12-11-21(17-25(22)26)19-9-5-2-6-10-19/h1-17H.
What are the key properties of 9-bromo-2,6-diphenylanthracene?
9-bromo-2,6-diphenylanthracene has a molecular weight of 409.33 g/mol, XLogP of 8.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2,6-diphenylanthracene is sourced from PubChem (CID 58194202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).