[2-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)phenyl]-diphenylphosphane

C37H26F2O2P2 — CID 87289459

IUPAC[2-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)phenyl]-diphenylphosphane
SMILESFC1(F)Oc2ccc(P(c3ccccc3)c3ccccc3)c(-c3ccccc3P(c3ccccc3)c3ccccc3)c2O1
InChIInChI=1S/C37H26F2O2P2/c38-37(39)40-32-25-26-34(43(29-19-9-3-10-20-29)30-21-11-4-12-22-30)35(36(32)41-37)31-23-13-14-24-33(31)42(27-15-5-1-6-16-27)28-17-7-2-8-18-28/h1-26H
InChIKeyWKZTWLCWSBQFBC-UHFFFAOYSA-N
MW602.56 g/mol
LogP7.19
Rot. Bonds7

About [2-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)phenyl]-diphenylphosphane

[2-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)phenyl]-diphenylphosphane (PubChem CID 87289459) has the molecular formula C37H26F2O2P2 and a molecular weight of 602.56 g/mol. Its IUPAC name is [2-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)phenyl]-diphenylphosphane
PubChem CID87289459
Molecular FormulaC37H26F2O2P2
Molecular Weight602.56 g/mol
Exact Mass602.14
IUPAC Name[2-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)phenyl]-diphenylphosphane
SMILESFC1(F)Oc2ccc(P(c3ccccc3)c3ccccc3)c(-c3ccccc3P(c3ccccc3)c3ccccc3)c2O1
InChIInChI=1S/C37H26F2O2P2/c38-37(39)40-32-25-26-34(43(29-19-9-3-10-20-29)30-21-11-4-12-22-30)35(36(32)41-37)31-23-13-14-24-33(31)42(27-15-5-1-6-16-27)28-17-7-2-8-18-28/h1-26H
InChIKeyWKZTWLCWSBQFBC-UHFFFAOYSA-N
XLogP7.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.56
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)phenyl]-diphenylphosphane 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 [2-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)phenyl]-diphenylphosphane?
The IUPAC name of [2-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)phenyl]-diphenylphosphane (CID 87289459) is [2-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)phenyl]-diphenylphosphane.
What is the SMILES notation for [2-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)phenyl]-diphenylphosphane?
The canonical SMILES for [2-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)phenyl]-diphenylphosphane is FC1(F)Oc2ccc(P(c3ccccc3)c3ccccc3)c(-c3ccccc3P(c3ccccc3)c3ccccc3)c2O1.
What is the InChIKey of [2-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)phenyl]-diphenylphosphane?
The InChIKey is WKZTWLCWSBQFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26F2O2P2/c38-37(39)40-32-25-26-34(43(29-19-9-3-10-20-29)30-21-11-4-12-22-30)35(36(32)41-37)31-23-13-14-24-33(31)42(27-15-5-1-6-16-27)28-17-7-2-8-18-28/h1-26H.
What are the key properties of [2-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)phenyl]-diphenylphosphane?
[2-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)phenyl]-diphenylphosphane has a molecular weight of 602.56 g/mol, XLogP of 7.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)phenyl]-diphenylphosphane is sourced from PubChem (CID 87289459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).