[2-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane

C32H28P2 — CID 4642097

IUPAC[2-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane
SMILESc1ccc(P(Cc2ccccc2CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H28P2/c1-5-17-29(18-6-1)33(30-19-7-2-8-20-30)25-27-15-13-14-16-28(27)26-34(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-24H,25-26H2
InChIKeyBZDNMSNFLZXRLY-UHFFFAOYSA-N
MW474.52 g/mol
LogP6.95
Rot. Bonds8

About [2-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane

[2-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane (PubChem CID 4642097) has the molecular formula C32H28P2 and a molecular weight of 474.52 g/mol. Its IUPAC name is [2-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[2-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane
PubChem CID4642097
Molecular FormulaC32H28P2
Molecular Weight474.52 g/mol
Exact Mass474.17
IUPAC Name[2-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane
SMILESc1ccc(P(Cc2ccccc2CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H28P2/c1-5-17-29(18-6-1)33(30-19-7-2-8-20-30)25-27-15-13-14-16-28(27)26-34(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-24H,25-26H2
InChIKeyBZDNMSNFLZXRLY-UHFFFAOYSA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.52
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [2-(diphenylphosphanylmethyl)phenyl]methyl-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-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane?
The IUPAC name of [2-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane (CID 4642097) is [2-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane.
What is the SMILES notation for [2-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane?
The canonical SMILES for [2-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane is c1ccc(P(Cc2ccccc2CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [2-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane?
The InChIKey is BZDNMSNFLZXRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28P2/c1-5-17-29(18-6-1)33(30-19-7-2-8-20-30)25-27-15-13-14-16-28(27)26-34(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-24H,25-26H2.
What are the key properties of [2-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane?
[2-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane has a molecular weight of 474.52 g/mol, XLogP of 6.95, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane is sourced from PubChem (CID 4642097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).