[4-[1,2-diphenyl-2-(4-phosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate

C26H22O8P2 — CID 155895268

IUPAC[4-[1,2-diphenyl-2-(4-phosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccc(C(=C(c2ccccc2)c2ccc(OP(=O)(O)O)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H22O8P2/c27-35(28,29)33-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)22-13-17-24(18-14-22)34-36(30,31)32/h1-18H,(H2,27,28,29)(H2,30,31,32)
InChIKeyAHEKEONWUHBVNV-UHFFFAOYSA-N
MW524.40 g/mol
LogP5.64
Rot. Bonds8

About [4-[1,2-diphenyl-2-(4-phosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate

[4-[1,2-diphenyl-2-(4-phosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate (PubChem CID 155895268) has the molecular formula C26H22O8P2 and a molecular weight of 524.40 g/mol. Its IUPAC name is [4-[1,2-diphenyl-2-(4-phosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate.

Molecular Properties

Compound Name[4-[1,2-diphenyl-2-(4-phosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate
PubChem CID155895268
Molecular FormulaC26H22O8P2
Molecular Weight524.40 g/mol
Exact Mass524.08
IUPAC Name[4-[1,2-diphenyl-2-(4-phosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccc(C(=C(c2ccccc2)c2ccc(OP(=O)(O)O)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H22O8P2/c27-35(28,29)33-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)22-13-17-24(18-14-22)34-36(30,31)32/h1-18H,(H2,27,28,29)(H2,30,31,32)
InChIKeyAHEKEONWUHBVNV-UHFFFAOYSA-N
XLogP5.64
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.40
LogP ≤ 55.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 131875092
CID 131875092
(4-phenylphenyl) dihydrogen phosphate;hydrate
CID 174536895
phenyl dihydrogen phosphate;2-phosphonoethylphosphonic acid
CID 158952926
(4-phenyldiazenylphenyl) dihydrogen phosphate
CID 21275212
(4-tritylphenyl) dihydrogen phosphate
CID 154267652
[4-[1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenyl] dihydrogen phosphate;phosphoric acid
CID 173074726
[4-[(Z)-4-(4-phosphonooxyphenyl)hex-3-en-3-yl]phenyl] dihydrogen phosphate
CID 3034369
(4-methylphenyl) dihydrogen phosphate;1,2-xylene
CID 175436066
1,2,2-triphenylethenyl dihydrogen phosphate
CID 140981505
2-aminophenol;phenyl dihydrogen phosphate
CID 158038709
cesium phenyl hydrogen phosphate
CID 175568082
sodium [4-[(4-benzoylphenoxy)-methylphosphoryl]oxyphenyl]-phenylmethanone
CID 157398737

Frequently Asked Questions

What is the IUPAC name of [4-[1,2-diphenyl-2-(4-phosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate?
The IUPAC name of [4-[1,2-diphenyl-2-(4-phosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate (CID 155895268) is [4-[1,2-diphenyl-2-(4-phosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate.
What is the SMILES notation for [4-[1,2-diphenyl-2-(4-phosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate?
The canonical SMILES for [4-[1,2-diphenyl-2-(4-phosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate is O=P(O)(O)Oc1ccc(C(=C(c2ccccc2)c2ccc(OP(=O)(O)O)cc2)c2ccccc2)cc1.
What is the InChIKey of [4-[1,2-diphenyl-2-(4-phosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate?
The InChIKey is AHEKEONWUHBVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O8P2/c27-35(28,29)33-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)22-13-17-24(18-14-22)34-36(30,31)32/h1-18H,(H2,27,28,29)(H2,30,31,32).
What are the key properties of [4-[1,2-diphenyl-2-(4-phosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate?
[4-[1,2-diphenyl-2-(4-phosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate has a molecular weight of 524.40 g/mol, XLogP of 5.64, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1,2-diphenyl-2-(4-phosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate is sourced from PubChem (CID 155895268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).