diphenyl 1-pyridin-4-ylethenyl phosphate

C19H16NO4P — CID 135076313

IUPACdiphenyl 1-pyridin-4-ylethenyl phosphate
SMILESC=C(OP(=O)(Oc1ccccc1)Oc1ccccc1)c1ccncc1
InChIInChI=1S/C19H16NO4P/c1-16(17-12-14-20-15-13-17)22-25(21,23-18-8-4-2-5-9-18)24-19-10-6-3-7-11-19/h2-15H,1H2
InChIKeyCAICFIHTDPBKGA-UHFFFAOYSA-N
MW353.31 g/mol
LogP5.34
Rot. Bonds7

About diphenyl 1-pyridin-4-ylethenyl phosphate

diphenyl 1-pyridin-4-ylethenyl phosphate (PubChem CID 135076313) has the molecular formula C19H16NO4P and a molecular weight of 353.31 g/mol. Its IUPAC name is diphenyl 1-pyridin-4-ylethenyl phosphate.

Molecular Properties

Compound Namediphenyl 1-pyridin-4-ylethenyl phosphate
PubChem CID135076313
Molecular FormulaC19H16NO4P
Molecular Weight353.31 g/mol
Exact Mass353.08
IUPAC Namediphenyl 1-pyridin-4-ylethenyl phosphate
SMILESC=C(OP(=O)(Oc1ccccc1)Oc1ccccc1)c1ccncc1
InChIInChI=1S/C19H16NO4P/c1-16(17-12-14-20-15-13-17)22-25(21,23-18-8-4-2-5-9-18)24-19-10-6-3-7-11-19/h2-15H,1H2
InChIKeyCAICFIHTDPBKGA-UHFFFAOYSA-N
XLogP5.34
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.31
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Diphenyl pyridin-3-ylphosphoramidate
CID 1612893
Diphenyl (5-methyl-2-pyridinyl)amidophosphate
CID 258623
Bis(4-methylphenyl) pyridin-2-ylphosphoramidate
CID 258625
4-[1-(4-Hydroxyphenyl)-2-methyl-3-pyridin-3-ylprop-1-enyl]phenol
CID 166625710
4-[1-(4-Hydroxyphenyl)-2-pyridin-3-ylprop-1-enyl]phenol
CID 166628679
4-[1-(4-Hydroxyphenyl)-2-(pyridin-3-ylmethyl)but-1-enyl]phenol
CID 166629948
4-[1-(4-Hydroxyphenyl)-2-methyl-4-pyridin-3-ylbut-1-enyl]phenol
CID 166634744
4-[2-Ethyl-1-(4-hydroxyphenyl)-4-pyridin-3-ylbut-1-enyl]phenol
CID 166635135
Bis(3-methylphenyl) 3-pyridinylamidophosphate
CID 1618574
Di-o-tolyl pyridin-2-ylphosphoramidate
CID 1912118
Di-m-tolyl (5-methylpyridin-2-yl)phosphoramidate
CID 1912896
(3E,5E)-1-[methyl(phenoxy)phosphoryl]-3,5-bis(pyridin-4-ylmethylidene)piperidin-4-one
CID 50907501

Frequently Asked Questions

What is the IUPAC name of diphenyl 1-pyridin-4-ylethenyl phosphate?
The IUPAC name of diphenyl 1-pyridin-4-ylethenyl phosphate (CID 135076313) is diphenyl 1-pyridin-4-ylethenyl phosphate.
What is the SMILES notation for diphenyl 1-pyridin-4-ylethenyl phosphate?
The canonical SMILES for diphenyl 1-pyridin-4-ylethenyl phosphate is C=C(OP(=O)(Oc1ccccc1)Oc1ccccc1)c1ccncc1.
What is the InChIKey of diphenyl 1-pyridin-4-ylethenyl phosphate?
The InChIKey is CAICFIHTDPBKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16NO4P/c1-16(17-12-14-20-15-13-17)22-25(21,23-18-8-4-2-5-9-18)24-19-10-6-3-7-11-19/h2-15H,1H2.
What are the key properties of diphenyl 1-pyridin-4-ylethenyl phosphate?
diphenyl 1-pyridin-4-ylethenyl phosphate has a molecular weight of 353.31 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl 1-pyridin-4-ylethenyl phosphate is sourced from PubChem (CID 135076313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).