[6-(2-methylbutan-2-yl)-2-pyridinyl]-diphenylphosphane

C22H24NP — CID 23634537

IUPAC[6-(2-methylbutan-2-yl)-2-pyridinyl]-diphenylphosphane
SMILESCCC(C)(C)c1cccc(P(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C22H24NP/c1-4-22(2,3)20-16-11-17-21(23-20)24(18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-17H,4H2,1-3H3
InChIKeyZEQMNGUCEYRQRF-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.53
Rot. Bonds5

About [6-(2-methylbutan-2-yl)-2-pyridinyl]-diphenylphosphane

[6-(2-methylbutan-2-yl)-2-pyridinyl]-diphenylphosphane (PubChem CID 23634537) has the molecular formula C22H24NP and a molecular weight of 333.42 g/mol. Its IUPAC name is [6-(2-methylbutan-2-yl)-2-pyridinyl]-diphenylphosphane.

Molecular Properties

Compound Name[6-(2-methylbutan-2-yl)-2-pyridinyl]-diphenylphosphane
PubChem CID23634537
Molecular FormulaC22H24NP
Molecular Weight333.42 g/mol
Exact Mass333.16
IUPAC Name[6-(2-methylbutan-2-yl)-2-pyridinyl]-diphenylphosphane
SMILESCCC(C)(C)c1cccc(P(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C22H24NP/c1-4-22(2,3)20-16-11-17-21(23-20)24(18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-17H,4H2,1-3H3
InChIKeyZEQMNGUCEYRQRF-UHFFFAOYSA-N
XLogP4.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [6-(2-methylbutan-2-yl)-2-pyridinyl]-diphenylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(2-methylbutan-2-yl)-2-pyridinyl]-diphenylphosphane?
The IUPAC name of [6-(2-methylbutan-2-yl)-2-pyridinyl]-diphenylphosphane (CID 23634537) is [6-(2-methylbutan-2-yl)-2-pyridinyl]-diphenylphosphane.
What is the SMILES notation for [6-(2-methylbutan-2-yl)-2-pyridinyl]-diphenylphosphane?
The canonical SMILES for [6-(2-methylbutan-2-yl)-2-pyridinyl]-diphenylphosphane is CCC(C)(C)c1cccc(P(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of [6-(2-methylbutan-2-yl)-2-pyridinyl]-diphenylphosphane?
The InChIKey is ZEQMNGUCEYRQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24NP/c1-4-22(2,3)20-16-11-17-21(23-20)24(18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-17H,4H2,1-3H3.
What are the key properties of [6-(2-methylbutan-2-yl)-2-pyridinyl]-diphenylphosphane?
[6-(2-methylbutan-2-yl)-2-pyridinyl]-diphenylphosphane has a molecular weight of 333.42 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methylbutan-2-yl)-2-pyridinyl]-diphenylphosphane is sourced from PubChem (CID 23634537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).