chloro-(2,3-dihydro-1H-inden-1-yl)-triphenyl-lambda5-phosphane

C27H24ClP — CID 12956166

IUPACchloro-(2,3-dihydro-1H-inden-1-yl)-triphenyl-lambda5-phosphane
SMILESClP(c1ccccc1)(c1ccccc1)(c1ccccc1)C1CCc2ccccc21
InChIInChI=1S/C27H24ClP/c28-29(23-13-4-1-5-14-23,24-15-6-2-7-16-24,25-17-8-3-9-18-25)27-21-20-22-12-10-11-19-26(22)27/h1-19,27H,20-21H2
InChIKeyJKPUVWAGWANLFA-UHFFFAOYSA-N
MW414.92 g/mol
LogP6.36
Rot. Bonds4

About chloro-(2,3-dihydro-1H-inden-1-yl)-triphenyl-lambda5-phosphane

chloro-(2,3-dihydro-1H-inden-1-yl)-triphenyl-lambda5-phosphane (PubChem CID 12956166) has the molecular formula C27H24ClP and a molecular weight of 414.92 g/mol. Its IUPAC name is chloro-(2,3-dihydro-1H-inden-1-yl)-triphenyl-lambda5-phosphane.

Molecular Properties

Compound Namechloro-(2,3-dihydro-1H-inden-1-yl)-triphenyl-lambda5-phosphane
PubChem CID12956166
Molecular FormulaC27H24ClP
Molecular Weight414.92 g/mol
Exact Mass414.13
IUPAC Namechloro-(2,3-dihydro-1H-inden-1-yl)-triphenyl-lambda5-phosphane
SMILESClP(c1ccccc1)(c1ccccc1)(c1ccccc1)C1CCc2ccccc21
InChIInChI=1S/C27H24ClP/c28-29(23-13-4-1-5-14-23,24-15-6-2-7-16-24,25-17-8-3-9-18-25)27-21-20-22-12-10-11-19-26(22)27/h1-19,27H,20-21H2
InChIKeyJKPUVWAGWANLFA-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.92
LogP ≤ 56.36
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 chloro-(2,3-dihydro-1H-inden-1-yl)-triphenyl-lambda5-phosphane?
The IUPAC name of chloro-(2,3-dihydro-1H-inden-1-yl)-triphenyl-lambda5-phosphane (CID 12956166) is chloro-(2,3-dihydro-1H-inden-1-yl)-triphenyl-lambda5-phosphane.
What is the SMILES notation for chloro-(2,3-dihydro-1H-inden-1-yl)-triphenyl-lambda5-phosphane?
The canonical SMILES for chloro-(2,3-dihydro-1H-inden-1-yl)-triphenyl-lambda5-phosphane is ClP(c1ccccc1)(c1ccccc1)(c1ccccc1)C1CCc2ccccc21.
What is the InChIKey of chloro-(2,3-dihydro-1H-inden-1-yl)-triphenyl-lambda5-phosphane?
The InChIKey is JKPUVWAGWANLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClP/c28-29(23-13-4-1-5-14-23,24-15-6-2-7-16-24,25-17-8-3-9-18-25)27-21-20-22-12-10-11-19-26(22)27/h1-19,27H,20-21H2.
What are the key properties of chloro-(2,3-dihydro-1H-inden-1-yl)-triphenyl-lambda5-phosphane?
chloro-(2,3-dihydro-1H-inden-1-yl)-triphenyl-lambda5-phosphane has a molecular weight of 414.92 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2,3-dihydro-1H-inden-1-yl)-triphenyl-lambda5-phosphane is sourced from PubChem (CID 12956166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).