dibenzyl-[2-(2-dibenzylphosphanylethoxy)ethyl]phosphane

C32H36OP2 — CID 12037877

IUPACdibenzyl-[2-(2-dibenzylphosphanylethoxy)ethyl]phosphane
SMILESc1ccc(CP(CCOCCP(Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C32H36OP2/c1-5-13-29(14-6-1)25-34(26-30-15-7-2-8-16-30)23-21-33-22-24-35(27-31-17-9-3-10-18-31)28-32-19-11-4-12-20-32/h1-20H,21-28H2
InChIKeyLMDVVUAQUNPYKZ-UHFFFAOYSA-N
MW498.59 g/mol
LogP8.77
Rot. Bonds14

About dibenzyl-[2-(2-dibenzylphosphanylethoxy)ethyl]phosphane

dibenzyl-[2-(2-dibenzylphosphanylethoxy)ethyl]phosphane (PubChem CID 12037877) has the molecular formula C32H36OP2 and a molecular weight of 498.59 g/mol. Its IUPAC name is dibenzyl-[2-(2-dibenzylphosphanylethoxy)ethyl]phosphane.

Molecular Properties

Compound Namedibenzyl-[2-(2-dibenzylphosphanylethoxy)ethyl]phosphane
PubChem CID12037877
Molecular FormulaC32H36OP2
Molecular Weight498.59 g/mol
Exact Mass498.22
IUPAC Namedibenzyl-[2-(2-dibenzylphosphanylethoxy)ethyl]phosphane
SMILESc1ccc(CP(CCOCCP(Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C32H36OP2/c1-5-13-29(14-6-1)25-34(26-30-15-7-2-8-16-30)23-21-33-22-24-35(27-31-17-9-3-10-18-31)28-32-19-11-4-12-20-32/h1-20H,21-28H2
InChIKeyLMDVVUAQUNPYKZ-UHFFFAOYSA-N
XLogP8.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.59
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

palladium;bis(tribenzylphosphane)
CID 87652258
dibenzyl(2-dibenzylphosphanylethyl)phosphane;dichloronickel
CID 6102221
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CID 102366508
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CID 173451845
benzyl-bis(2-phenylethoxy)phosphane
CID 141159288
tribenzyl-[2-[2-[2-(tribenzylazaniumyl)ethoxy]ethoxy]ethyl]azanium dibromide
CID 44889286
8-(8-phenyloctoxy)octylbenzene
CID 56628536
2-ethoxyethanol;phenylmethanol
CID 174850859
benzyl-methyl-propylphosphane
CID 13024967
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
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CID 13274714
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Frequently Asked Questions

What is the IUPAC name of dibenzyl-[2-(2-dibenzylphosphanylethoxy)ethyl]phosphane?
The IUPAC name of dibenzyl-[2-(2-dibenzylphosphanylethoxy)ethyl]phosphane (CID 12037877) is dibenzyl-[2-(2-dibenzylphosphanylethoxy)ethyl]phosphane.
What is the SMILES notation for dibenzyl-[2-(2-dibenzylphosphanylethoxy)ethyl]phosphane?
The canonical SMILES for dibenzyl-[2-(2-dibenzylphosphanylethoxy)ethyl]phosphane is c1ccc(CP(CCOCCP(Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of dibenzyl-[2-(2-dibenzylphosphanylethoxy)ethyl]phosphane?
The InChIKey is LMDVVUAQUNPYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36OP2/c1-5-13-29(14-6-1)25-34(26-30-15-7-2-8-16-30)23-21-33-22-24-35(27-31-17-9-3-10-18-31)28-32-19-11-4-12-20-32/h1-20H,21-28H2.
What are the key properties of dibenzyl-[2-(2-dibenzylphosphanylethoxy)ethyl]phosphane?
dibenzyl-[2-(2-dibenzylphosphanylethoxy)ethyl]phosphane has a molecular weight of 498.59 g/mol, XLogP of 8.77, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl-[2-(2-dibenzylphosphanylethoxy)ethyl]phosphane is sourced from PubChem (CID 12037877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).