2,4,6-tris(4-bromophenyl)pyrylium

C23H14Br3O+ — CID 11365661

IUPAC2,4,6-tris(4-bromophenyl)pyrylium
SMILESBrc1ccc(-c2cc(-c3ccc(Br)cc3)[o+]c(-c3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C23H14Br3O/c24-19-7-1-15(2-8-19)18-13-22(16-3-9-20(25)10-4-16)27-23(14-18)17-5-11-21(26)12-6-17/h1-14H/q+1
InChIKeyPSDUPYIQUORZGL-UHFFFAOYSA-N
MW546.08 g/mol
LogP8.85
Rot. Bonds3

About 2,4,6-tris(4-bromophenyl)pyrylium

2,4,6-tris(4-bromophenyl)pyrylium (PubChem CID 11365661) has the molecular formula C23H14Br3O+ and a molecular weight of 546.08 g/mol. Its IUPAC name is 2,4,6-tris(4-bromophenyl)pyrylium.

Molecular Properties

Compound Name2,4,6-tris(4-bromophenyl)pyrylium
PubChem CID11365661
Molecular FormulaC23H14Br3O+
Molecular Weight546.08 g/mol
Exact Mass542.86
IUPAC Name2,4,6-tris(4-bromophenyl)pyrylium
SMILESBrc1ccc(-c2cc(-c3ccc(Br)cc3)[o+]c(-c3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C23H14Br3O/c24-19-7-1-15(2-8-19)18-13-22(16-3-9-20(25)10-4-16)27-23(14-18)17-5-11-21(26)12-6-17/h1-14H/q+1
InChIKeyPSDUPYIQUORZGL-UHFFFAOYSA-N
XLogP8.85
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.08
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,4,6-tris(4-bromophenyl)pyrylium with MolForge

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

Launch Full Analysis

Related Compounds

2,4,6-tris(4-methylphenyl)pyrylium
CID 3723959
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
tetrakis(1-bromo-4-(4-bromophenyl)benzene) disulfide
CID 173034951
1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene
CID 102428633
2,4-bis(4-fluorophenyl)-6-phenylpyrylium
CID 134911591
4-[2-(4-methylphenyl)-6-pyridin-4-ylpyrylium-4-yl]pyridine
CID 140885402
2,4,6-tris[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrylium
CID 139768920
2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate
CID 12627136
2,6-bis(4-ethylphenyl)-4-phenylpyrylium
CID 3309250
1-bromo-3-(4-bromophenyl)-5-chlorobenzene
CID 134275306
1,3-bis(bromomethyl)-5-(4-bromophenyl)benzene
CID 24751418
4-bromo-1,2-bis(4-bromophenyl)benzene
CID 54378809

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(4-bromophenyl)pyrylium?
The IUPAC name of 2,4,6-tris(4-bromophenyl)pyrylium (CID 11365661) is 2,4,6-tris(4-bromophenyl)pyrylium.
What is the SMILES notation for 2,4,6-tris(4-bromophenyl)pyrylium?
The canonical SMILES for 2,4,6-tris(4-bromophenyl)pyrylium is Brc1ccc(-c2cc(-c3ccc(Br)cc3)[o+]c(-c3ccc(Br)cc3)c2)cc1.
What is the InChIKey of 2,4,6-tris(4-bromophenyl)pyrylium?
The InChIKey is PSDUPYIQUORZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Br3O/c24-19-7-1-15(2-8-19)18-13-22(16-3-9-20(25)10-4-16)27-23(14-18)17-5-11-21(26)12-6-17/h1-14H/q+1.
What are the key properties of 2,4,6-tris(4-bromophenyl)pyrylium?
2,4,6-tris(4-bromophenyl)pyrylium has a molecular weight of 546.08 g/mol, XLogP of 8.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(4-bromophenyl)pyrylium is sourced from PubChem (CID 11365661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).