tetraphenylboranuide;2,4,6-triphenylpyrylium

C47H37BO — CID 139713157

IUPACtetraphenylboranuide;2,4,6-triphenylpyrylium
SMILESc1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccccc3)c2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C23H17O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20/h1-20H;1-17H/q-1;+1
InChIKeyWNJRBNLYCYTEQJ-UHFFFAOYSA-N
MW628.62 g/mol
LogP9.63
Rot. Bonds7

About tetraphenylboranuide;2,4,6-triphenylpyrylium

tetraphenylboranuide;2,4,6-triphenylpyrylium (PubChem CID 139713157) has the molecular formula C47H37BO and a molecular weight of 628.62 g/mol. Its IUPAC name is tetraphenylboranuide;2,4,6-triphenylpyrylium.

Molecular Properties

Compound Nametetraphenylboranuide;2,4,6-triphenylpyrylium
PubChem CID139713157
Molecular FormulaC47H37BO
Molecular Weight628.62 g/mol
Exact Mass628.29
IUPAC Nametetraphenylboranuide;2,4,6-triphenylpyrylium
SMILESc1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccccc3)c2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C23H17O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20/h1-20H;1-17H/q-1;+1
InChIKeyWNJRBNLYCYTEQJ-UHFFFAOYSA-N
XLogP9.63
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.62
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4-bis(4-fluorophenyl)-6-phenylpyrylium
CID 134911591
2,6-bis(4-ethylphenyl)-4-phenylpyrylium
CID 3309250
2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate
CID 12627136
4,6-diphenylpyrylium-2-carboxylic acid
CID 3314101
4-[(E)-2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol
CID 6033287
2-(5-bromofuran-2-yl)-4,6-diphenylpyrylium
CID 14173693
2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyrylium
CID 134909177
2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate
CID 2884638
2,4,6-tris(4-methylphenyl)pyrylium
CID 3723959
CID 174934257
CID 174934257
calcium;tetraphenylboranuide;iodide
CID 23136649
2-(4,6-diphenylpyrylium-2-yl)pyridine perchlorate
CID 44887999

Frequently Asked Questions

What is the IUPAC name of tetraphenylboranuide;2,4,6-triphenylpyrylium?
The IUPAC name of tetraphenylboranuide;2,4,6-triphenylpyrylium (CID 139713157) is tetraphenylboranuide;2,4,6-triphenylpyrylium.
What is the SMILES notation for tetraphenylboranuide;2,4,6-triphenylpyrylium?
The canonical SMILES for tetraphenylboranuide;2,4,6-triphenylpyrylium is c1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccccc3)c2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tetraphenylboranuide;2,4,6-triphenylpyrylium?
The InChIKey is WNJRBNLYCYTEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20B.C23H17O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20/h1-20H;1-17H/q-1;+1.
What are the key properties of tetraphenylboranuide;2,4,6-triphenylpyrylium?
tetraphenylboranuide;2,4,6-triphenylpyrylium has a molecular weight of 628.62 g/mol, XLogP of 9.63, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetraphenylboranuide;2,4,6-triphenylpyrylium is sourced from PubChem (CID 139713157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).