[[5-[diphenylphosphanyl(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]-diphenylphosphane

C55H48O2P2 — CID 23403291

IUPAC[[5-[diphenylphosphanyl(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]-diphenylphosphane
SMILESCC1(C)OC(C(c2ccccc2)(c2ccccc2)P(c2ccccc2)c2ccccc2)C(C(c2ccccc2)(c2ccccc2)P(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C55H48O2P2/c1-53(2)56-51(54(43-27-11-3-12-28-43,44-29-13-4-14-30-44)58(47-35-19-7-20-36-47)48-37-21-8-22-38-48)52(57-53)55(45-31-15-5-16-32-45,46-33-17-6-18-34-46)59(49-39-23-9-24-40-49)50-41-25-10-26-42-50/h3-42,51-52H,1-2H3
InChIKeyPKDFQXQFBRUJDV-UHFFFAOYSA-N
MW802.94 g/mol
LogP11.66
Rot. Bonds12

About [[5-[diphenylphosphanyl(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]-diphenylphosphane

[[5-[diphenylphosphanyl(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]-diphenylphosphane (PubChem CID 23403291) has the molecular formula C55H48O2P2 and a molecular weight of 802.94 g/mol. Its IUPAC name is [[5-[diphenylphosphanyl(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]-diphenylphosphane.

Molecular Properties

Compound Name[[5-[diphenylphosphanyl(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]-diphenylphosphane
PubChem CID23403291
Molecular FormulaC55H48O2P2
Molecular Weight802.94 g/mol
Exact Mass802.31
IUPAC Name[[5-[diphenylphosphanyl(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]-diphenylphosphane
SMILESCC1(C)OC(C(c2ccccc2)(c2ccccc2)P(c2ccccc2)c2ccccc2)C(C(c2ccccc2)(c2ccccc2)P(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C55H48O2P2/c1-53(2)56-51(54(43-27-11-3-12-28-43,44-29-13-4-14-30-44)58(47-35-19-7-20-36-47)48-37-21-8-22-38-48)52(57-53)55(45-31-15-5-16-32-45,46-33-17-6-18-34-46)59(49-39-23-9-24-40-49)50-41-25-10-26-42-50/h3-42,51-52H,1-2H3
InChIKeyPKDFQXQFBRUJDV-UHFFFAOYSA-N
XLogP11.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.94
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [[5-[diphenylphosphanyl(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]-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 [[5-[diphenylphosphanyl(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]-diphenylphosphane?
The IUPAC name of [[5-[diphenylphosphanyl(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]-diphenylphosphane (CID 23403291) is [[5-[diphenylphosphanyl(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]-diphenylphosphane.
What is the SMILES notation for [[5-[diphenylphosphanyl(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]-diphenylphosphane?
The canonical SMILES for [[5-[diphenylphosphanyl(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]-diphenylphosphane is CC1(C)OC(C(c2ccccc2)(c2ccccc2)P(c2ccccc2)c2ccccc2)C(C(c2ccccc2)(c2ccccc2)P(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of [[5-[diphenylphosphanyl(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]-diphenylphosphane?
The InChIKey is PKDFQXQFBRUJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H48O2P2/c1-53(2)56-51(54(43-27-11-3-12-28-43,44-29-13-4-14-30-44)58(47-35-19-7-20-36-47)48-37-21-8-22-38-48)52(57-53)55(45-31-15-5-16-32-45,46-33-17-6-18-34-46)59(49-39-23-9-24-40-49)50-41-25-10-26-42-50/h3-42,51-52H,1-2H3.
What are the key properties of [[5-[diphenylphosphanyl(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]-diphenylphosphane?
[[5-[diphenylphosphanyl(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]-diphenylphosphane has a molecular weight of 802.94 g/mol, XLogP of 11.66, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[5-[diphenylphosphanyl(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]-diphenylphosphane is sourced from PubChem (CID 23403291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).