bis(4-methylphenyl)-pyridin-2-ylphosphane

C19H18NP — CID 21284190

IUPACbis(4-methylphenyl)-pyridin-2-ylphosphane
SMILESCc1ccc(P(c2ccc(C)cc2)c2ccccn2)cc1
InChIInChI=1S/C19H18NP/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18/h3-14H,1-2H3
InChIKeyGCOUUCTXNLMQAN-UHFFFAOYSA-N
MW291.33 g/mol
LogP3.46
Rot. Bonds3

About bis(4-methylphenyl)-pyridin-2-ylphosphane

bis(4-methylphenyl)-pyridin-2-ylphosphane (PubChem CID 21284190) has the molecular formula C19H18NP and a molecular weight of 291.33 g/mol. Its IUPAC name is bis(4-methylphenyl)-pyridin-2-ylphosphane.

Molecular Properties

Compound Namebis(4-methylphenyl)-pyridin-2-ylphosphane
PubChem CID21284190
Molecular FormulaC19H18NP
Molecular Weight291.33 g/mol
Exact Mass291.12
IUPAC Namebis(4-methylphenyl)-pyridin-2-ylphosphane
SMILESCc1ccc(P(c2ccc(C)cc2)c2ccccn2)cc1
InChIInChI=1S/C19H18NP/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18/h3-14H,1-2H3
InChIKeyGCOUUCTXNLMQAN-UHFFFAOYSA-N
XLogP3.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bis(4-methylphenyl)-pyridin-2-ylphosphane 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 bis(4-methylphenyl)-pyridin-2-ylphosphane?
The IUPAC name of bis(4-methylphenyl)-pyridin-2-ylphosphane (CID 21284190) is bis(4-methylphenyl)-pyridin-2-ylphosphane.
What is the SMILES notation for bis(4-methylphenyl)-pyridin-2-ylphosphane?
The canonical SMILES for bis(4-methylphenyl)-pyridin-2-ylphosphane is Cc1ccc(P(c2ccc(C)cc2)c2ccccn2)cc1.
What is the InChIKey of bis(4-methylphenyl)-pyridin-2-ylphosphane?
The InChIKey is GCOUUCTXNLMQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18NP/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18/h3-14H,1-2H3.
What are the key properties of bis(4-methylphenyl)-pyridin-2-ylphosphane?
bis(4-methylphenyl)-pyridin-2-ylphosphane has a molecular weight of 291.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylphenyl)-pyridin-2-ylphosphane is sourced from PubChem (CID 21284190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).