(7-fluoro-3,3-dimethyl-2,2-diphenylbenzo[g][1,2]benzoxasilol-4-yl)methyl-triphenylphosphanium

C44H37FOPSi+ — CID 174092384

IUPAC(7-fluoro-3,3-dimethyl-2,2-diphenylbenzo[g][1,2]benzoxasilol-4-yl)methyl-triphenylphosphanium
SMILESCC1(C)c2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc3cc(F)ccc3c2O[Si]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H37FOPSi/c1-44(2)42-34(32-47(36-18-8-3-9-19-36,37-20-10-4-11-21-37)38-22-12-5-13-23-38)30-33-31-35(45)28-29-41(33)43(42)46-48(44,39-24-14-6-15-25-39)40-26-16-7-17-27-40/h3-31H,32H2,1-2H3/q+1
InChIKeyYNYYNGXBERNXRZ-UHFFFAOYSA-N
MW659.84 g/mol
LogP8.44
Rot. Bonds7

About (7-fluoro-3,3-dimethyl-2,2-diphenylbenzo[g][1,2]benzoxasilol-4-yl)methyl-triphenylphosphanium

(7-fluoro-3,3-dimethyl-2,2-diphenylbenzo[g][1,2]benzoxasilol-4-yl)methyl-triphenylphosphanium (PubChem CID 174092384) has the molecular formula C44H37FOPSi+ and a molecular weight of 659.84 g/mol. Its IUPAC name is (7-fluoro-3,3-dimethyl-2,2-diphenylbenzo[g][1,2]benzoxasilol-4-yl)methyl-triphenylphosphanium.

Molecular Properties

Compound Name(7-fluoro-3,3-dimethyl-2,2-diphenylbenzo[g][1,2]benzoxasilol-4-yl)methyl-triphenylphosphanium
PubChem CID174092384
Molecular FormulaC44H37FOPSi+
Molecular Weight659.84 g/mol
Exact Mass659.23
IUPAC Name(7-fluoro-3,3-dimethyl-2,2-diphenylbenzo[g][1,2]benzoxasilol-4-yl)methyl-triphenylphosphanium
SMILESCC1(C)c2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc3cc(F)ccc3c2O[Si]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H37FOPSi/c1-44(2)42-34(32-47(36-18-8-3-9-19-36,37-20-10-4-11-21-37)38-22-12-5-13-23-38)30-33-31-35(45)28-29-41(33)43(42)46-48(44,39-24-14-6-15-25-39)40-26-16-7-17-27-40/h3-31H,32H2,1-2H3/q+1
InChIKeyYNYYNGXBERNXRZ-UHFFFAOYSA-N
XLogP8.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.84
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (7-fluoro-3,3-dimethyl-2,2-diphenylbenzo[g][1,2]benzoxasilol-4-yl)methyl-triphenylphosphanium 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 (7-fluoro-3,3-dimethyl-2,2-diphenylbenzo[g][1,2]benzoxasilol-4-yl)methyl-triphenylphosphanium?
The IUPAC name of (7-fluoro-3,3-dimethyl-2,2-diphenylbenzo[g][1,2]benzoxasilol-4-yl)methyl-triphenylphosphanium (CID 174092384) is (7-fluoro-3,3-dimethyl-2,2-diphenylbenzo[g][1,2]benzoxasilol-4-yl)methyl-triphenylphosphanium.
What is the SMILES notation for (7-fluoro-3,3-dimethyl-2,2-diphenylbenzo[g][1,2]benzoxasilol-4-yl)methyl-triphenylphosphanium?
The canonical SMILES for (7-fluoro-3,3-dimethyl-2,2-diphenylbenzo[g][1,2]benzoxasilol-4-yl)methyl-triphenylphosphanium is CC1(C)c2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc3cc(F)ccc3c2O[Si]1(c1ccccc1)c1ccccc1.
What is the InChIKey of (7-fluoro-3,3-dimethyl-2,2-diphenylbenzo[g][1,2]benzoxasilol-4-yl)methyl-triphenylphosphanium?
The InChIKey is YNYYNGXBERNXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H37FOPSi/c1-44(2)42-34(32-47(36-18-8-3-9-19-36,37-20-10-4-11-21-37)38-22-12-5-13-23-38)30-33-31-35(45)28-29-41(33)43(42)46-48(44,39-24-14-6-15-25-39)40-26-16-7-17-27-40/h3-31H,32H2,1-2H3/q+1.
What are the key properties of (7-fluoro-3,3-dimethyl-2,2-diphenylbenzo[g][1,2]benzoxasilol-4-yl)methyl-triphenylphosphanium?
(7-fluoro-3,3-dimethyl-2,2-diphenylbenzo[g][1,2]benzoxasilol-4-yl)methyl-triphenylphosphanium has a molecular weight of 659.84 g/mol, XLogP of 8.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-3,3-dimethyl-2,2-diphenylbenzo[g][1,2]benzoxasilol-4-yl)methyl-triphenylphosphanium is sourced from PubChem (CID 174092384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).