9-bromo-10-(3,5-diphenylphenyl)anthracene

C32H21Br — CID 23067325

IUPAC9-bromo-10-(3,5-diphenylphenyl)anthracene
SMILESBrc1c2ccccc2c(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccccc12
InChIInChI=1S/C32H21Br/c33-32-29-17-9-7-15-27(29)31(28-16-8-10-18-30(28)32)26-20-24(22-11-3-1-4-12-22)19-25(21-26)23-13-5-2-6-14-23/h1-21H
InChIKeyBQYDXENQXPPQLP-UHFFFAOYSA-N
MW485.42 g/mol
LogP9.76
Rot. Bonds3

About 9-bromo-10-(3,5-diphenylphenyl)anthracene

9-bromo-10-(3,5-diphenylphenyl)anthracene (PubChem CID 23067325) has the molecular formula C32H21Br and a molecular weight of 485.42 g/mol. Its IUPAC name is 9-bromo-10-(3,5-diphenylphenyl)anthracene.

Molecular Properties

Compound Name9-bromo-10-(3,5-diphenylphenyl)anthracene
PubChem CID23067325
Molecular FormulaC32H21Br
Molecular Weight485.42 g/mol
Exact Mass484.08
IUPAC Name9-bromo-10-(3,5-diphenylphenyl)anthracene
SMILESBrc1c2ccccc2c(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccccc12
InChIInChI=1S/C32H21Br/c33-32-29-17-9-7-15-27(29)31(28-16-8-10-18-30(28)32)26-20-24(22-11-3-1-4-12-22)19-25(21-26)23-13-5-2-6-14-23/h1-21H
InChIKeyBQYDXENQXPPQLP-UHFFFAOYSA-N
XLogP9.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.42
LogP ≤ 59.76
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-10-(3,5-diphenylphenyl)anthracene?
The IUPAC name of 9-bromo-10-(3,5-diphenylphenyl)anthracene (CID 23067325) is 9-bromo-10-(3,5-diphenylphenyl)anthracene.
What is the SMILES notation for 9-bromo-10-(3,5-diphenylphenyl)anthracene?
The canonical SMILES for 9-bromo-10-(3,5-diphenylphenyl)anthracene is Brc1c2ccccc2c(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccccc12.
What is the InChIKey of 9-bromo-10-(3,5-diphenylphenyl)anthracene?
The InChIKey is BQYDXENQXPPQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21Br/c33-32-29-17-9-7-15-27(29)31(28-16-8-10-18-30(28)32)26-20-24(22-11-3-1-4-12-22)19-25(21-26)23-13-5-2-6-14-23/h1-21H.
What are the key properties of 9-bromo-10-(3,5-diphenylphenyl)anthracene?
9-bromo-10-(3,5-diphenylphenyl)anthracene has a molecular weight of 485.42 g/mol, XLogP of 9.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10-(3,5-diphenylphenyl)anthracene is sourced from PubChem (CID 23067325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).