2-(3-diphenylphosphorylphenyl)-4-methyl-5-phenylpyridine

C30H24NOP — CID 140732533

IUPAC2-(3-diphenylphosphorylphenyl)-4-methyl-5-phenylpyridine
SMILESCc1cc(-c2cccc(P(=O)(c3ccccc3)c3ccccc3)c2)ncc1-c1ccccc1
InChIInChI=1S/C30H24NOP/c1-23-20-30(31-22-29(23)24-12-5-2-6-13-24)25-14-11-19-28(21-25)33(32,26-15-7-3-8-16-26)27-17-9-4-10-18-27/h2-22H,1H3
InChIKeyQIKLXJIRTZGWSX-UHFFFAOYSA-N
MW445.50 g/mol
LogP6.36
Rot. Bonds5

About 2-(3-diphenylphosphorylphenyl)-4-methyl-5-phenylpyridine

2-(3-diphenylphosphorylphenyl)-4-methyl-5-phenylpyridine (PubChem CID 140732533) has the molecular formula C30H24NOP and a molecular weight of 445.50 g/mol. Its IUPAC name is 2-(3-diphenylphosphorylphenyl)-4-methyl-5-phenylpyridine.

Molecular Properties

Compound Name2-(3-diphenylphosphorylphenyl)-4-methyl-5-phenylpyridine
PubChem CID140732533
Molecular FormulaC30H24NOP
Molecular Weight445.50 g/mol
Exact Mass445.16
IUPAC Name2-(3-diphenylphosphorylphenyl)-4-methyl-5-phenylpyridine
SMILESCc1cc(-c2cccc(P(=O)(c3ccccc3)c3ccccc3)c2)ncc1-c1ccccc1
InChIInChI=1S/C30H24NOP/c1-23-20-30(31-22-29(23)24-12-5-2-6-13-24)25-14-11-19-28(21-25)33(32,26-15-7-3-8-16-26)27-17-9-4-10-18-27/h2-22H,1H3
InChIKeyQIKLXJIRTZGWSX-UHFFFAOYSA-N
XLogP6.36
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.50
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3-diphenylphosphorylphenyl)-4-methyl-5-phenylpyridine?
The IUPAC name of 2-(3-diphenylphosphorylphenyl)-4-methyl-5-phenylpyridine (CID 140732533) is 2-(3-diphenylphosphorylphenyl)-4-methyl-5-phenylpyridine.
What is the SMILES notation for 2-(3-diphenylphosphorylphenyl)-4-methyl-5-phenylpyridine?
The canonical SMILES for 2-(3-diphenylphosphorylphenyl)-4-methyl-5-phenylpyridine is Cc1cc(-c2cccc(P(=O)(c3ccccc3)c3ccccc3)c2)ncc1-c1ccccc1.
What is the InChIKey of 2-(3-diphenylphosphorylphenyl)-4-methyl-5-phenylpyridine?
The InChIKey is QIKLXJIRTZGWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24NOP/c1-23-20-30(31-22-29(23)24-12-5-2-6-13-24)25-14-11-19-28(21-25)33(32,26-15-7-3-8-16-26)27-17-9-4-10-18-27/h2-22H,1H3.
What are the key properties of 2-(3-diphenylphosphorylphenyl)-4-methyl-5-phenylpyridine?
2-(3-diphenylphosphorylphenyl)-4-methyl-5-phenylpyridine has a molecular weight of 445.50 g/mol, XLogP of 6.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-diphenylphosphorylphenyl)-4-methyl-5-phenylpyridine is sourced from PubChem (CID 140732533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).