2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyrylium

C21H20FO+ — CID 134909177

IUPAC2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyrylium
SMILESCC(C)(C)c1cc(-c2ccc(F)cc2)cc(-c2ccccc2)[o+]1
InChIInChI=1S/C21H20FO/c1-21(2,3)20-14-17(15-9-11-18(22)12-10-15)13-19(23-20)16-7-5-4-6-8-16/h4-14H,1-3H3/q+1
InChIKeyNEBKDCYBISRWLZ-UHFFFAOYSA-N
MW307.39 g/mol
LogP6.33
Rot. Bonds2

About 2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyrylium

2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyrylium (PubChem CID 134909177) has the molecular formula C21H20FO+ and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyrylium.

Molecular Properties

Compound Name2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyrylium
PubChem CID134909177
Molecular FormulaC21H20FO+
Molecular Weight307.39 g/mol
Exact Mass307.15
IUPAC Name2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyrylium
SMILESCC(C)(C)c1cc(-c2ccc(F)cc2)cc(-c2ccccc2)[o+]1
InChIInChI=1S/C21H20FO/c1-21(2,3)20-14-17(15-9-11-18(22)12-10-15)13-19(23-20)16-7-5-4-6-8-16/h4-14H,1-3H3/q+1
InChIKeyNEBKDCYBISRWLZ-UHFFFAOYSA-N
XLogP6.33
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.39
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4-bis(4-fluorophenyl)-6-phenylpyrylium
CID 134911591
2,6-ditert-butyl-4-(4-chlorophenyl)pyrylium tetrafluoroborate
CID 45045075
tetraphenylboranuide;2,4,6-triphenylpyrylium
CID 139713157
2,6-bis(4-ethylphenyl)-4-phenylpyrylium
CID 3309250
2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate
CID 12627136
4-tert-butyl-2-phenylchromenylium
CID 142492656
4-(2,6-ditert-butylpyrylium-4-yl)benzoic acid tetrafluoroborate
CID 45045012
lithium;1-fluoro-4-phenylbenzene;hydride
CID 173443965
4-(2,6-ditert-butylpyrylium-4-yl)benzonitrile
CID 10249248
2,4,6-tris(4-methylphenyl)pyrylium
CID 3723959
2,6-bis(4-fluorophenyl)pyrylium
CID 11824430
2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate
CID 2884638

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyrylium?
The IUPAC name of 2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyrylium (CID 134909177) is 2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyrylium.
What is the SMILES notation for 2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyrylium?
The canonical SMILES for 2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyrylium is CC(C)(C)c1cc(-c2ccc(F)cc2)cc(-c2ccccc2)[o+]1.
What is the InChIKey of 2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyrylium?
The InChIKey is NEBKDCYBISRWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FO/c1-21(2,3)20-14-17(15-9-11-18(22)12-10-15)13-19(23-20)16-7-5-4-6-8-16/h4-14H,1-3H3/q+1.
What are the key properties of 2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyrylium?
2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyrylium has a molecular weight of 307.39 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyrylium is sourced from PubChem (CID 134909177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).