[5-(4-methoxyphenyl)-2-phenylfuran-3-yl]-triphenylphosphanium tetrafluoroborate

C35H28BF4O2P — CID 51032985

IUPAC[5-(4-methoxyphenyl)-2-phenylfuran-3-yl]-triphenylphosphanium tetrafluoroborate
SMILESCOc1ccc(-c2cc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(-c3ccccc3)o2)cc1.F[B-](F)(F)F
InChIInChI=1S/C35H28O2P.BF4/c1-36-29-24-22-27(23-25-29)33-26-34(35(37-33)28-14-6-2-7-15-28)38(30-16-8-3-9-17-30,31-18-10-4-11-19-31)32-20-12-5-13-21-32;2-1(3,4)5/h2-26H,1H3;/q+1;-1
InChIKeyFTWVAVOSXIUTRL-UHFFFAOYSA-N
MW598.39 g/mol
LogP8.54
Rot. Bonds7

About [5-(4-methoxyphenyl)-2-phenylfuran-3-yl]-triphenylphosphanium tetrafluoroborate

[5-(4-methoxyphenyl)-2-phenylfuran-3-yl]-triphenylphosphanium tetrafluoroborate (PubChem CID 51032985) has the molecular formula C35H28BF4O2P and a molecular weight of 598.39 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-2-phenylfuran-3-yl]-triphenylphosphanium tetrafluoroborate.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-2-phenylfuran-3-yl]-triphenylphosphanium tetrafluoroborate
PubChem CID51032985
Molecular FormulaC35H28BF4O2P
Molecular Weight598.39 g/mol
Exact Mass598.19
IUPAC Name[5-(4-methoxyphenyl)-2-phenylfuran-3-yl]-triphenylphosphanium tetrafluoroborate
SMILESCOc1ccc(-c2cc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(-c3ccccc3)o2)cc1.F[B-](F)(F)F
InChIInChI=1S/C35H28O2P.BF4/c1-36-29-24-22-27(23-25-29)33-26-34(35(37-33)28-14-6-2-7-15-28)38(30-16-8-3-9-17-30,31-18-10-4-11-19-31)32-20-12-5-13-21-32;2-1(3,4)5/h2-26H,1H3;/q+1;-1
InChIKeyFTWVAVOSXIUTRL-UHFFFAOYSA-N
XLogP8.54
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.39
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [5-(4-methoxyphenyl)-2-phenylfuran-3-yl]-triphenylphosphanium tetrafluoroborate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-2-phenylfuran-3-yl]-triphenylphosphanium tetrafluoroborate?
The IUPAC name of [5-(4-methoxyphenyl)-2-phenylfuran-3-yl]-triphenylphosphanium tetrafluoroborate (CID 51032985) is [5-(4-methoxyphenyl)-2-phenylfuran-3-yl]-triphenylphosphanium tetrafluoroborate.
What is the SMILES notation for [5-(4-methoxyphenyl)-2-phenylfuran-3-yl]-triphenylphosphanium tetrafluoroborate?
The canonical SMILES for [5-(4-methoxyphenyl)-2-phenylfuran-3-yl]-triphenylphosphanium tetrafluoroborate is COc1ccc(-c2cc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(-c3ccccc3)o2)cc1.F[B-](F)(F)F.
What is the InChIKey of [5-(4-methoxyphenyl)-2-phenylfuran-3-yl]-triphenylphosphanium tetrafluoroborate?
The InChIKey is FTWVAVOSXIUTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28O2P.BF4/c1-36-29-24-22-27(23-25-29)33-26-34(35(37-33)28-14-6-2-7-15-28)38(30-16-8-3-9-17-30,31-18-10-4-11-19-31)32-20-12-5-13-21-32;2-1(3,4)5/h2-26H,1H3;/q+1;-1.
What are the key properties of [5-(4-methoxyphenyl)-2-phenylfuran-3-yl]-triphenylphosphanium tetrafluoroborate?
[5-(4-methoxyphenyl)-2-phenylfuran-3-yl]-triphenylphosphanium tetrafluoroborate has a molecular weight of 598.39 g/mol, XLogP of 8.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-2-phenylfuran-3-yl]-triphenylphosphanium tetrafluoroborate is sourced from PubChem (CID 51032985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).