dibenzyl-[2-(2-methylcyclopentyl)-1-phenylethyl]phosphane

C28H33P — CID 143914633

IUPACdibenzyl-[2-(2-methylcyclopentyl)-1-phenylethyl]phosphane
SMILESCC1CCCC1CC(c1ccccc1)P(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H33P/c1-23-12-11-19-27(23)20-28(26-17-9-4-10-18-26)29(21-24-13-5-2-6-14-24)22-25-15-7-3-8-16-25/h2-10,13-18,23,27-28H,11-12,19-22H2,1H3
InChIKeyWAQWQERRBJTLNW-UHFFFAOYSA-N
MW400.55 g/mol
LogP8.44
Rot. Bonds8

About dibenzyl-[2-(2-methylcyclopentyl)-1-phenylethyl]phosphane

dibenzyl-[2-(2-methylcyclopentyl)-1-phenylethyl]phosphane (PubChem CID 143914633) has the molecular formula C28H33P and a molecular weight of 400.55 g/mol. Its IUPAC name is dibenzyl-[2-(2-methylcyclopentyl)-1-phenylethyl]phosphane.

Molecular Properties

Compound Namedibenzyl-[2-(2-methylcyclopentyl)-1-phenylethyl]phosphane
PubChem CID143914633
Molecular FormulaC28H33P
Molecular Weight400.55 g/mol
Exact Mass400.23
IUPAC Namedibenzyl-[2-(2-methylcyclopentyl)-1-phenylethyl]phosphane
SMILESCC1CCCC1CC(c1ccccc1)P(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H33P/c1-23-12-11-19-27(23)20-28(26-17-9-4-10-18-26)29(21-24-13-5-2-6-14-24)22-25-15-7-3-8-16-25/h2-10,13-18,23,27-28H,11-12,19-22H2,1H3
InChIKeyWAQWQERRBJTLNW-UHFFFAOYSA-N
XLogP8.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.55
LogP ≤ 58.44
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-[2-(2-methylcyclopentyl)-1-phenylethyl]phosphane?
The IUPAC name of dibenzyl-[2-(2-methylcyclopentyl)-1-phenylethyl]phosphane (CID 143914633) is dibenzyl-[2-(2-methylcyclopentyl)-1-phenylethyl]phosphane.
What is the SMILES notation for dibenzyl-[2-(2-methylcyclopentyl)-1-phenylethyl]phosphane?
The canonical SMILES for dibenzyl-[2-(2-methylcyclopentyl)-1-phenylethyl]phosphane is CC1CCCC1CC(c1ccccc1)P(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of dibenzyl-[2-(2-methylcyclopentyl)-1-phenylethyl]phosphane?
The InChIKey is WAQWQERRBJTLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33P/c1-23-12-11-19-27(23)20-28(26-17-9-4-10-18-26)29(21-24-13-5-2-6-14-24)22-25-15-7-3-8-16-25/h2-10,13-18,23,27-28H,11-12,19-22H2,1H3.
What are the key properties of dibenzyl-[2-(2-methylcyclopentyl)-1-phenylethyl]phosphane?
dibenzyl-[2-(2-methylcyclopentyl)-1-phenylethyl]phosphane has a molecular weight of 400.55 g/mol, XLogP of 8.44, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl-[2-(2-methylcyclopentyl)-1-phenylethyl]phosphane is sourced from PubChem (CID 143914633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).