[2-(1H-inden-1-yl)-2,2-diphenylethyl]-dimethylphosphane

C25H25P — CID 19033347

IUPAC[2-(1H-inden-1-yl)-2,2-diphenylethyl]-dimethylphosphane
SMILESCP(C)CC(c1ccccc1)(c1ccccc1)C1C=Cc2ccccc21
InChIInChI=1S/C25H25P/c1-26(2)19-25(21-12-5-3-6-13-21,22-14-7-4-8-15-22)24-18-17-20-11-9-10-16-23(20)24/h3-18,24H,19H2,1-2H3
InChIKeyNXESSYXDZZLHAQ-UHFFFAOYSA-N
MW356.45 g/mol
LogP6.52
Rot. Bonds5

About [2-(1H-inden-1-yl)-2,2-diphenylethyl]-dimethylphosphane

[2-(1H-inden-1-yl)-2,2-diphenylethyl]-dimethylphosphane (PubChem CID 19033347) has the molecular formula C25H25P and a molecular weight of 356.45 g/mol. Its IUPAC name is [2-(1H-inden-1-yl)-2,2-diphenylethyl]-dimethylphosphane.

Molecular Properties

Compound Name[2-(1H-inden-1-yl)-2,2-diphenylethyl]-dimethylphosphane
PubChem CID19033347
Molecular FormulaC25H25P
Molecular Weight356.45 g/mol
Exact Mass356.17
IUPAC Name[2-(1H-inden-1-yl)-2,2-diphenylethyl]-dimethylphosphane
SMILESCP(C)CC(c1ccccc1)(c1ccccc1)C1C=Cc2ccccc21
InChIInChI=1S/C25H25P/c1-26(2)19-25(21-12-5-3-6-13-21,22-14-7-4-8-15-22)24-18-17-20-11-9-10-16-23(20)24/h3-18,24H,19H2,1-2H3
InChIKeyNXESSYXDZZLHAQ-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.45
LogP ≤ 56.52
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 [2-(1H-inden-1-yl)-2,2-diphenylethyl]-dimethylphosphane?
The IUPAC name of [2-(1H-inden-1-yl)-2,2-diphenylethyl]-dimethylphosphane (CID 19033347) is [2-(1H-inden-1-yl)-2,2-diphenylethyl]-dimethylphosphane.
What is the SMILES notation for [2-(1H-inden-1-yl)-2,2-diphenylethyl]-dimethylphosphane?
The canonical SMILES for [2-(1H-inden-1-yl)-2,2-diphenylethyl]-dimethylphosphane is CP(C)CC(c1ccccc1)(c1ccccc1)C1C=Cc2ccccc21.
What is the InChIKey of [2-(1H-inden-1-yl)-2,2-diphenylethyl]-dimethylphosphane?
The InChIKey is NXESSYXDZZLHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25P/c1-26(2)19-25(21-12-5-3-6-13-21,22-14-7-4-8-15-22)24-18-17-20-11-9-10-16-23(20)24/h3-18,24H,19H2,1-2H3.
What are the key properties of [2-(1H-inden-1-yl)-2,2-diphenylethyl]-dimethylphosphane?
[2-(1H-inden-1-yl)-2,2-diphenylethyl]-dimethylphosphane has a molecular weight of 356.45 g/mol, XLogP of 6.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-inden-1-yl)-2,2-diphenylethyl]-dimethylphosphane is sourced from PubChem (CID 19033347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).