4-(4-diethoxyphosphorylphenyl)-2-phenyl-6-pyridin-2-ylpyridine

C26H24N2O3P- — CID 101467297

IUPAC4-(4-diethoxyphosphorylphenyl)-2-phenyl-6-pyridin-2-ylpyridine
SMILESCCOP(=O)(OCC)c1ccc(-c2cc(-c3[c-]cccc3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C26H24N2O3P/c1-3-30-32(29,31-4-2)23-15-13-20(14-16-23)22-18-25(21-10-6-5-7-11-21)28-26(19-22)24-12-8-9-17-27-24/h5-10,12-19H,3-4H2,1-2H3/q-1
InChIKeyKEUZASRCFKESKF-UHFFFAOYSA-N
MW443.46 g/mol
LogP6.17
Rot. Bonds8

About 4-(4-diethoxyphosphorylphenyl)-2-phenyl-6-pyridin-2-ylpyridine

4-(4-diethoxyphosphorylphenyl)-2-phenyl-6-pyridin-2-ylpyridine (PubChem CID 101467297) has the molecular formula C26H24N2O3P- and a molecular weight of 443.46 g/mol. Its IUPAC name is 4-(4-diethoxyphosphorylphenyl)-2-phenyl-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(4-diethoxyphosphorylphenyl)-2-phenyl-6-pyridin-2-ylpyridine
PubChem CID101467297
Molecular FormulaC26H24N2O3P-
Molecular Weight443.46 g/mol
Exact Mass443.15
IUPAC Name4-(4-diethoxyphosphorylphenyl)-2-phenyl-6-pyridin-2-ylpyridine
SMILESCCOP(=O)(OCC)c1ccc(-c2cc(-c3[c-]cccc3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C26H24N2O3P/c1-3-30-32(29,31-4-2)23-15-13-20(14-16-23)22-18-25(21-10-6-5-7-11-21)28-26(19-22)24-12-8-9-17-27-24/h5-10,12-19H,3-4H2,1-2H3/q-1
InChIKeyKEUZASRCFKESKF-UHFFFAOYSA-N
XLogP6.17
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.46
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzenethiolate;tris(dichloromethane);bis(methyl 4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)benzoate);bis(platinum(2+))
CID 139126422
ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate
CID 102197724
4-(4-dimethoxyphosphorylphenyl)-2-pyridin-2-ylpyridine
CID 102459192
4-[4-[2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364716
ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712
4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine
CID 10871645
4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364714
iridium;tris(2-phenylpyridine)
CID 23386734
bromonickel;2-phenyl-6-pyridin-2-ylpyridine
CID 153499013
bis(4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine);tetrakis(4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-5-methylphenyl]-2,6-dipyridin-2-ylpyridine);propane;ruthenium
CID 157164655
2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-phenylpyridine;bis(N,N-diphenylaniline);4-(4-diphenylphosphorylphenyl)-2,6-di(phenyl)pyridine;bis(gold(3+))
CID 159093599
iridium(3+);bis(2-phenylpyridine);2-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]pyridine
CID 59800942

Frequently Asked Questions

What is the IUPAC name of 4-(4-diethoxyphosphorylphenyl)-2-phenyl-6-pyridin-2-ylpyridine?
The IUPAC name of 4-(4-diethoxyphosphorylphenyl)-2-phenyl-6-pyridin-2-ylpyridine (CID 101467297) is 4-(4-diethoxyphosphorylphenyl)-2-phenyl-6-pyridin-2-ylpyridine.
What is the SMILES notation for 4-(4-diethoxyphosphorylphenyl)-2-phenyl-6-pyridin-2-ylpyridine?
The canonical SMILES for 4-(4-diethoxyphosphorylphenyl)-2-phenyl-6-pyridin-2-ylpyridine is CCOP(=O)(OCC)c1ccc(-c2cc(-c3[c-]cccc3)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of 4-(4-diethoxyphosphorylphenyl)-2-phenyl-6-pyridin-2-ylpyridine?
The InChIKey is KEUZASRCFKESKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3P/c1-3-30-32(29,31-4-2)23-15-13-20(14-16-23)22-18-25(21-10-6-5-7-11-21)28-26(19-22)24-12-8-9-17-27-24/h5-10,12-19H,3-4H2,1-2H3/q-1.
What are the key properties of 4-(4-diethoxyphosphorylphenyl)-2-phenyl-6-pyridin-2-ylpyridine?
4-(4-diethoxyphosphorylphenyl)-2-phenyl-6-pyridin-2-ylpyridine has a molecular weight of 443.46 g/mol, XLogP of 6.17, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-diethoxyphosphorylphenyl)-2-phenyl-6-pyridin-2-ylpyridine is sourced from PubChem (CID 101467297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).