[4-[(E)-2-[2-[4-[(E)-2-(4-phosphonophenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]phosphonic acid

C26H22N2O6P2 — CID 58250279

IUPAC[4-[(E)-2-[2-[4-[(E)-2-(4-phosphonophenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]phosphonic acid
SMILESO=P(O)(O)c1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(P(=O)(O)O)cc4)ccn3)c2)cc1
InChIInChI=1S/C26H22N2O6P2/c29-35(30,31)23-9-5-19(6-10-23)1-3-21-13-15-27-25(17-21)26-18-22(14-16-28-26)4-2-20-7-11-24(12-8-20)36(32,33)34/h1-18H,(H2,29,30,31)(H2,32,33,34)/b3-1+,4-2+
InChIKeyUQGDJUZLURZPEG-ZPUQHVIOSA-N
MW520.42 g/mol
LogP4.09
Rot. Bonds7

About [4-[(E)-2-[2-[4-[(E)-2-(4-phosphonophenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]phosphonic acid

[4-[(E)-2-[2-[4-[(E)-2-(4-phosphonophenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]phosphonic acid (PubChem CID 58250279) has the molecular formula C26H22N2O6P2 and a molecular weight of 520.42 g/mol. Its IUPAC name is [4-[(E)-2-[2-[4-[(E)-2-(4-phosphonophenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]phosphonic acid.

Molecular Properties

Compound Name[4-[(E)-2-[2-[4-[(E)-2-(4-phosphonophenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]phosphonic acid
PubChem CID58250279
Molecular FormulaC26H22N2O6P2
Molecular Weight520.42 g/mol
Exact Mass520.10
IUPAC Name[4-[(E)-2-[2-[4-[(E)-2-(4-phosphonophenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]phosphonic acid
SMILESO=P(O)(O)c1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(P(=O)(O)O)cc4)ccn3)c2)cc1
InChIInChI=1S/C26H22N2O6P2/c29-35(30,31)23-9-5-19(6-10-23)1-3-21-13-15-27-25(17-21)26-18-22(14-16-28-26)4-2-20-7-11-24(12-8-20)36(32,33)34/h1-18H,(H2,29,30,31)(H2,32,33,34)/b3-1+,4-2+
InChIKeyUQGDJUZLURZPEG-ZPUQHVIOSA-N
XLogP4.09
TPSA140.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.42
LogP ≤ 54.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[(E)-2-[2-[4-[(E)-2-(4-phosphonophenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]phosphonic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-pyridin-4-ylethenyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]-2-pyridinyl]pyridine
CID 154284100
4-[2-(2-pyridin-2-yl-4-pyridinyl)ethenyl]benzaldehyde
CID 54562489
tris(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium
CID 156734955
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 54579890
3-[2-[4-(2-carboxyethenyl)-2-pyridinyl]-4-pyridinyl]prop-2-enoic acid
CID 66811759
N,N-diphenyl-4-[2-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline
CID 69478350
4-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]-2-[4-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]-2-pyridinyl]pyridine
CID 102087576
[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]phosphonic acid
CID 70356504
4-[(E)-2-[2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-dimethylaniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 156734947
4-[(E)-2-[2-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline
CID 135225812
[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 90239033
[4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 123271905

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-[2-[4-[(E)-2-(4-phosphonophenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]phosphonic acid?
The IUPAC name of [4-[(E)-2-[2-[4-[(E)-2-(4-phosphonophenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]phosphonic acid (CID 58250279) is [4-[(E)-2-[2-[4-[(E)-2-(4-phosphonophenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]phosphonic acid.
What is the SMILES notation for [4-[(E)-2-[2-[4-[(E)-2-(4-phosphonophenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]phosphonic acid?
The canonical SMILES for [4-[(E)-2-[2-[4-[(E)-2-(4-phosphonophenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]phosphonic acid is O=P(O)(O)c1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(P(=O)(O)O)cc4)ccn3)c2)cc1.
What is the InChIKey of [4-[(E)-2-[2-[4-[(E)-2-(4-phosphonophenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]phosphonic acid?
The InChIKey is UQGDJUZLURZPEG-ZPUQHVIOSA-N. The full InChI is InChI=1S/C26H22N2O6P2/c29-35(30,31)23-9-5-19(6-10-23)1-3-21-13-15-27-25(17-21)26-18-22(14-16-28-26)4-2-20-7-11-24(12-8-20)36(32,33)34/h1-18H,(H2,29,30,31)(H2,32,33,34)/b3-1+,4-2+.
What are the key properties of [4-[(E)-2-[2-[4-[(E)-2-(4-phosphonophenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]phosphonic acid?
[4-[(E)-2-[2-[4-[(E)-2-(4-phosphonophenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]phosphonic acid has a molecular weight of 520.42 g/mol, XLogP of 4.09, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-[2-[4-[(E)-2-(4-phosphonophenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]phosphonic acid is sourced from PubChem (CID 58250279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).