oxo-[2-[4-[1-(2-oxophosphaniumylideneethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylidene]phosphanium

C14H14N2O2P2+4 — CID 140507992

IUPACoxo-[2-[4-[1-(2-oxophosphaniumylideneethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylidene]phosphanium
SMILESO=[P+]=CC[n+]1ccc(-c2cc[n+](CC=[P+]=O)cc2)cc1
InChIInChI=1S/C14H14N2O2P2/c17-19-11-9-15-5-1-13(2-6-15)14-3-7-16(8-4-14)10-12-20-18/h1-8,11-12H,9-10H2/q+4
InChIKeyAGYQWSSVEMXUNG-UHFFFAOYSA-N
MW304.23 g/mol
LogP2.12
Rot. Bonds5

About oxo-[2-[4-[1-(2-oxophosphaniumylideneethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylidene]phosphanium

oxo-[2-[4-[1-(2-oxophosphaniumylideneethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylidene]phosphanium (PubChem CID 140507992) has the molecular formula C14H14N2O2P2+4 and a molecular weight of 304.23 g/mol. Its IUPAC name is oxo-[2-[4-[1-(2-oxophosphaniumylideneethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylidene]phosphanium.

Molecular Properties

Compound Nameoxo-[2-[4-[1-(2-oxophosphaniumylideneethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylidene]phosphanium
PubChem CID140507992
Molecular FormulaC14H14N2O2P2+4
Molecular Weight304.23 g/mol
Exact Mass304.05
IUPAC Nameoxo-[2-[4-[1-(2-oxophosphaniumylideneethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylidene]phosphanium
SMILESO=[P+]=CC[n+]1ccc(-c2cc[n+](CC=[P+]=O)cc2)cc1
InChIInChI=1S/C14H14N2O2P2/c17-19-11-9-15-5-1-13(2-6-15)14-3-7-16(8-4-14)10-12-20-18/h1-8,11-12H,9-10H2/q+4
InChIKeyAGYQWSSVEMXUNG-UHFFFAOYSA-N
XLogP2.12
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze oxo-[2-[4-[1-(2-oxophosphaniumylideneethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylidene]phosphanium with MolForge

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Related Compounds

1-(3-fluoroprop-2-enyl)-4-phenylpyridin-1-ium
CID 70405310
1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-[1-[[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 157277312
1-[(E)-4-(4-aminopyridin-1-ium-1-yl)but-2-enyl]pyridin-1-ium-4-amine
CID 6062243
1-(3-phenylprop-2-enyl)-4-[1-(3-phenylprop-2-enyl)pyridin-1-ium-4-yl]pyridin-1-ium dibromide
CID 171336477
4-phenyl-1-prop-2-enylpyridin-1-ium;1,4-xylene
CID 90739457
1-(2-chloroethyl)-4-[1-(2-chloroethyl)pyridin-1-ium-4-yl]pyridin-1-ium
CID 5158745
4-phenyl-1-[2-(4-phenylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium
CID 3650539
2-[4-[1-(2-sulfanylethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethanethiol
CID 102347204
2-[4-[1-(carboxylatomethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]acetate
CID 40546098
4-chloro-1-prop-2-enylpyridin-1-ium
CID 19788470
1-prop-2-enylpyridin-1-ium-4-ol;hydrochloride
CID 67726467
3-[4-[1-(2-carboxyethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propanoic acid dichloride
CID 15305748

Frequently Asked Questions

What is the IUPAC name of oxo-[2-[4-[1-(2-oxophosphaniumylideneethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylidene]phosphanium?
The IUPAC name of oxo-[2-[4-[1-(2-oxophosphaniumylideneethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylidene]phosphanium (CID 140507992) is oxo-[2-[4-[1-(2-oxophosphaniumylideneethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylidene]phosphanium.
What is the SMILES notation for oxo-[2-[4-[1-(2-oxophosphaniumylideneethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylidene]phosphanium?
The canonical SMILES for oxo-[2-[4-[1-(2-oxophosphaniumylideneethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylidene]phosphanium is O=[P+]=CC[n+]1ccc(-c2cc[n+](CC=[P+]=O)cc2)cc1.
What is the InChIKey of oxo-[2-[4-[1-(2-oxophosphaniumylideneethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylidene]phosphanium?
The InChIKey is AGYQWSSVEMXUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2P2/c17-19-11-9-15-5-1-13(2-6-15)14-3-7-16(8-4-14)10-12-20-18/h1-8,11-12H,9-10H2/q+4.
What are the key properties of oxo-[2-[4-[1-(2-oxophosphaniumylideneethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylidene]phosphanium?
oxo-[2-[4-[1-(2-oxophosphaniumylideneethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylidene]phosphanium has a molecular weight of 304.23 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-[2-[4-[1-(2-oxophosphaniumylideneethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylidene]phosphanium is sourced from PubChem (CID 140507992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).