2,4-diphenyl-6-(2-phenylmethoxyphenyl)pyrylium tetrafluoroborate

C30H23BF4O2 — CID 44888324

IUPAC2,4-diphenyl-6-(2-phenylmethoxyphenyl)pyrylium tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc(COc2ccccc2-c2cc(-c3ccccc3)cc(-c3ccccc3)[o+]2)cc1
InChIInChI=1S/C30H23O2.BF4/c1-4-12-23(13-5-1)22-31-28-19-11-10-18-27(28)30-21-26(24-14-6-2-7-15-24)20-29(32-30)25-16-8-3-9-17-25;2-1(3,4)5/h1-21H,22H2;/q+1;-1
InChIKeyPEEHMJHBMVCOBY-UHFFFAOYSA-N
MW502.32 g/mol
LogP9.44
Rot. Bonds6

About 2,4-diphenyl-6-(2-phenylmethoxyphenyl)pyrylium tetrafluoroborate

2,4-diphenyl-6-(2-phenylmethoxyphenyl)pyrylium tetrafluoroborate (PubChem CID 44888324) has the molecular formula C30H23BF4O2 and a molecular weight of 502.32 g/mol. Its IUPAC name is 2,4-diphenyl-6-(2-phenylmethoxyphenyl)pyrylium tetrafluoroborate.

Molecular Properties

Compound Name2,4-diphenyl-6-(2-phenylmethoxyphenyl)pyrylium tetrafluoroborate
PubChem CID44888324
Molecular FormulaC30H23BF4O2
Molecular Weight502.32 g/mol
Exact Mass502.17
IUPAC Name2,4-diphenyl-6-(2-phenylmethoxyphenyl)pyrylium tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc(COc2ccccc2-c2cc(-c3ccccc3)cc(-c3ccccc3)[o+]2)cc1
InChIInChI=1S/C30H23O2.BF4/c1-4-12-23(13-5-1)22-31-28-19-11-10-18-27(28)30-21-26(24-14-6-2-7-15-24)20-29(32-30)25-16-8-3-9-17-25;2-1(3,4)5/h1-21H,22H2;/q+1;-1
InChIKeyPEEHMJHBMVCOBY-UHFFFAOYSA-N
XLogP9.44
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.32
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid
CID 53228660
1-iodo-4-[(2-phenylphenoxy)methyl]benzene
CID 65489526
1,2-dimethyl-5-phenyl-3-phenylmethoxybenzene
CID 175309090
(3-phenyl-4-phenylmethoxyphenyl)methanol
CID 164896135
ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174428998
3-fluoro-5-(2-phenylmethoxyphenyl)pyridin-2-amine
CID 175669945
methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174530188
2-(2-bromophenyl)-4-chloro-1-phenylmethoxybenzene
CID 69309413
1-[4-fluoro-2-(2-phenylmethoxyphenyl)phenyl]ethanone
CID 172649387
2-(2-fluoro-5-phenyl-3-phenylmethoxyphenyl)acetic acid
CID 174526081
2-chloro-5-(2-phenylmethoxyphenyl)phenol
CID 53221551
6-(2-phenylmethoxyphenyl)naphthalen-2-amine
CID 172868680

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(2-phenylmethoxyphenyl)pyrylium tetrafluoroborate?
The IUPAC name of 2,4-diphenyl-6-(2-phenylmethoxyphenyl)pyrylium tetrafluoroborate (CID 44888324) is 2,4-diphenyl-6-(2-phenylmethoxyphenyl)pyrylium tetrafluoroborate.
What is the SMILES notation for 2,4-diphenyl-6-(2-phenylmethoxyphenyl)pyrylium tetrafluoroborate?
The canonical SMILES for 2,4-diphenyl-6-(2-phenylmethoxyphenyl)pyrylium tetrafluoroborate is F[B-](F)(F)F.c1ccc(COc2ccccc2-c2cc(-c3ccccc3)cc(-c3ccccc3)[o+]2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(2-phenylmethoxyphenyl)pyrylium tetrafluoroborate?
The InChIKey is PEEHMJHBMVCOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23O2.BF4/c1-4-12-23(13-5-1)22-31-28-19-11-10-18-27(28)30-21-26(24-14-6-2-7-15-24)20-29(32-30)25-16-8-3-9-17-25;2-1(3,4)5/h1-21H,22H2;/q+1;-1.
What are the key properties of 2,4-diphenyl-6-(2-phenylmethoxyphenyl)pyrylium tetrafluoroborate?
2,4-diphenyl-6-(2-phenylmethoxyphenyl)pyrylium tetrafluoroborate has a molecular weight of 502.32 g/mol, XLogP of 9.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(2-phenylmethoxyphenyl)pyrylium tetrafluoroborate is sourced from PubChem (CID 44888324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).