dibenzyl(1-dibenzylphosphanylethyl)phosphane

C30H32P2 — CID 21296881

IUPACdibenzyl(1-dibenzylphosphanylethyl)phosphane
SMILESCC(P(Cc1ccccc1)Cc1ccccc1)P(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H32P2/c1-26(31(22-27-14-6-2-7-15-27)23-28-16-8-3-9-17-28)32(24-29-18-10-4-11-19-29)25-30-20-12-5-13-21-30/h2-21,26H,22-25H2,1H3
InChIKeyAAXYBDLXNCGAQU-UHFFFAOYSA-N
MW454.53 g/mol
LogP9.10
Rot. Bonds10

About dibenzyl(1-dibenzylphosphanylethyl)phosphane

dibenzyl(1-dibenzylphosphanylethyl)phosphane (PubChem CID 21296881) has the molecular formula C30H32P2 and a molecular weight of 454.53 g/mol. Its IUPAC name is dibenzyl(1-dibenzylphosphanylethyl)phosphane.

Molecular Properties

Compound Namedibenzyl(1-dibenzylphosphanylethyl)phosphane
PubChem CID21296881
Molecular FormulaC30H32P2
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Namedibenzyl(1-dibenzylphosphanylethyl)phosphane
SMILESCC(P(Cc1ccccc1)Cc1ccccc1)P(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H32P2/c1-26(31(22-27-14-6-2-7-15-27)23-28-16-8-3-9-17-28)32(24-29-18-10-4-11-19-29)25-30-20-12-5-13-21-30/h2-21,26H,22-25H2,1H3
InChIKeyAAXYBDLXNCGAQU-UHFFFAOYSA-N
XLogP9.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibenzyl(1-dibenzylphosphanylethyl)phosphane?
The IUPAC name of dibenzyl(1-dibenzylphosphanylethyl)phosphane (CID 21296881) is dibenzyl(1-dibenzylphosphanylethyl)phosphane.
What is the SMILES notation for dibenzyl(1-dibenzylphosphanylethyl)phosphane?
The canonical SMILES for dibenzyl(1-dibenzylphosphanylethyl)phosphane is CC(P(Cc1ccccc1)Cc1ccccc1)P(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of dibenzyl(1-dibenzylphosphanylethyl)phosphane?
The InChIKey is AAXYBDLXNCGAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32P2/c1-26(31(22-27-14-6-2-7-15-27)23-28-16-8-3-9-17-28)32(24-29-18-10-4-11-19-29)25-30-20-12-5-13-21-30/h2-21,26H,22-25H2,1H3.
What are the key properties of dibenzyl(1-dibenzylphosphanylethyl)phosphane?
dibenzyl(1-dibenzylphosphanylethyl)phosphane has a molecular weight of 454.53 g/mol, XLogP of 9.10, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl(1-dibenzylphosphanylethyl)phosphane is sourced from PubChem (CID 21296881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).