[benzyl(4-dibenzylphosphorylbutyl)phosphoryl]methylbenzene

C32H36O2P2 — CID 2828370

IUPAC[benzyl(4-dibenzylphosphorylbutyl)phosphoryl]methylbenzene
SMILESO=P(CCCCP(=O)(Cc1ccccc1)Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C32H36O2P2/c33-35(25-29-15-5-1-6-16-29,26-30-17-7-2-8-18-30)23-13-14-24-36(34,27-31-19-9-3-10-20-31)28-32-21-11-4-12-22-32/h1-12,15-22H,13-14,23-28H2
InChIKeyRCZXKEBEACZRRL-UHFFFAOYSA-N
MW514.59 g/mol
LogP9.29
Rot. Bonds13

About [benzyl(4-dibenzylphosphorylbutyl)phosphoryl]methylbenzene

[benzyl(4-dibenzylphosphorylbutyl)phosphoryl]methylbenzene (PubChem CID 2828370) has the molecular formula C32H36O2P2 and a molecular weight of 514.59 g/mol. Its IUPAC name is [benzyl(4-dibenzylphosphorylbutyl)phosphoryl]methylbenzene.

Molecular Properties

Compound Name[benzyl(4-dibenzylphosphorylbutyl)phosphoryl]methylbenzene
PubChem CID2828370
Molecular FormulaC32H36O2P2
Molecular Weight514.59 g/mol
Exact Mass514.22
IUPAC Name[benzyl(4-dibenzylphosphorylbutyl)phosphoryl]methylbenzene
SMILESO=P(CCCCP(=O)(Cc1ccccc1)Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C32H36O2P2/c33-35(25-29-15-5-1-6-16-29,26-30-17-7-2-8-18-30)23-13-14-24-36(34,27-31-19-9-3-10-20-31)28-32-21-11-4-12-22-32/h1-12,15-22H,13-14,23-28H2
InChIKeyRCZXKEBEACZRRL-UHFFFAOYSA-N
XLogP9.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.59
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [benzyl(4-dibenzylphosphorylbutyl)phosphoryl]methylbenzene 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 [benzyl(4-dibenzylphosphorylbutyl)phosphoryl]methylbenzene?
The IUPAC name of [benzyl(4-dibenzylphosphorylbutyl)phosphoryl]methylbenzene (CID 2828370) is [benzyl(4-dibenzylphosphorylbutyl)phosphoryl]methylbenzene.
What is the SMILES notation for [benzyl(4-dibenzylphosphorylbutyl)phosphoryl]methylbenzene?
The canonical SMILES for [benzyl(4-dibenzylphosphorylbutyl)phosphoryl]methylbenzene is O=P(CCCCP(=O)(Cc1ccccc1)Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of [benzyl(4-dibenzylphosphorylbutyl)phosphoryl]methylbenzene?
The InChIKey is RCZXKEBEACZRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36O2P2/c33-35(25-29-15-5-1-6-16-29,26-30-17-7-2-8-18-30)23-13-14-24-36(34,27-31-19-9-3-10-20-31)28-32-21-11-4-12-22-32/h1-12,15-22H,13-14,23-28H2.
What are the key properties of [benzyl(4-dibenzylphosphorylbutyl)phosphoryl]methylbenzene?
[benzyl(4-dibenzylphosphorylbutyl)phosphoryl]methylbenzene has a molecular weight of 514.59 g/mol, XLogP of 9.29, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [benzyl(4-dibenzylphosphorylbutyl)phosphoryl]methylbenzene is sourced from PubChem (CID 2828370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).