2-(5-bromofuran-2-yl)-4,6-diphenylpyrylium

C21H14BrO2+ — CID 14173693

IUPAC2-(5-bromofuran-2-yl)-4,6-diphenylpyrylium
SMILESBrc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[o+]2)o1
InChIInChI=1S/C21H14BrO2/c22-21-12-11-18(24-21)20-14-17(15-7-3-1-4-8-15)13-19(23-20)16-9-5-2-6-10-16/h1-14H/q+1
InChIKeyNGXHKWAVVKPTFA-UHFFFAOYSA-N
MW378.25 g/mol
LogP6.92
Rot. Bonds3

About 2-(5-bromofuran-2-yl)-4,6-diphenylpyrylium

2-(5-bromofuran-2-yl)-4,6-diphenylpyrylium (PubChem CID 14173693) has the molecular formula C21H14BrO2+ and a molecular weight of 378.25 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-4,6-diphenylpyrylium.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-4,6-diphenylpyrylium
PubChem CID14173693
Molecular FormulaC21H14BrO2+
Molecular Weight378.25 g/mol
Exact Mass377.02
IUPAC Name2-(5-bromofuran-2-yl)-4,6-diphenylpyrylium
SMILESBrc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[o+]2)o1
InChIInChI=1S/C21H14BrO2/c22-21-12-11-18(24-21)20-14-17(15-7-3-1-4-8-15)13-19(23-20)16-9-5-2-6-10-16/h1-14H/q+1
InChIKeyNGXHKWAVVKPTFA-UHFFFAOYSA-N
XLogP6.92
TPSA24.44 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.25
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chlorofuran-2-yl)-4,6-diphenylpyrylium perchlorate
CID 134909283
tetraphenylboranuide;2,4,6-triphenylpyrylium
CID 139713157
2,4-bis(4-fluorophenyl)-6-phenylpyrylium
CID 134911591
2,4,6-tris(4-bromophenyl)pyrylium
CID 11365661
2,6-bis(4-ethylphenyl)-4-phenylpyrylium
CID 3309250
2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate
CID 12627136
4-[4-(2,6-dinaphthalen-2-ylpyrylium-4-yl)phenyl]-2,6-dinaphthalen-2-ylpyrylium
CID 101141044
4,6-diphenylpyrylium-2-carboxylic acid
CID 3314101
4-[(E)-2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol
CID 6033287
2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate
CID 2884638
2,4,6-tris(4-methylphenyl)pyrylium
CID 3723959
2-(4,6-diphenylpyrylium-2-yl)pyridine perchlorate
CID 44887999

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-4,6-diphenylpyrylium?
The IUPAC name of 2-(5-bromofuran-2-yl)-4,6-diphenylpyrylium (CID 14173693) is 2-(5-bromofuran-2-yl)-4,6-diphenylpyrylium.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-4,6-diphenylpyrylium?
The canonical SMILES for 2-(5-bromofuran-2-yl)-4,6-diphenylpyrylium is Brc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[o+]2)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-4,6-diphenylpyrylium?
The InChIKey is NGXHKWAVVKPTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrO2/c22-21-12-11-18(24-21)20-14-17(15-7-3-1-4-8-15)13-19(23-20)16-9-5-2-6-10-16/h1-14H/q+1.
What are the key properties of 2-(5-bromofuran-2-yl)-4,6-diphenylpyrylium?
2-(5-bromofuran-2-yl)-4,6-diphenylpyrylium has a molecular weight of 378.25 g/mol, XLogP of 6.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-4,6-diphenylpyrylium is sourced from PubChem (CID 14173693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).