[2,3,4-tris[(E)-2-phenylethenyl]phenyl] phosphate

C30H23O4P-2 — CID 18522799

IUPAC[2,3,4-tris[(E)-2-phenylethenyl]phenyl] phosphate
SMILESO=P([O-])([O-])Oc1ccc(/C=C/c2ccccc2)c(/C=C/c2ccccc2)c1/C=C/c1ccccc1
InChIInChI=1S/C30H25O4P/c31-35(32,33)34-30-23-20-27(19-16-24-10-4-1-5-11-24)28(21-17-25-12-6-2-7-13-25)29(30)22-18-26-14-8-3-9-15-26/h1-23H,(H2,31,32,33)/p-2/b19-16+,21-17+,22-18+
InChIKeyGZNPCWJMNAYNNB-XJVDSWKZSA-L
MW478.48 g/mol
LogP6.41
Rot. Bonds8

About [2,3,4-tris[(E)-2-phenylethenyl]phenyl] phosphate

[2,3,4-tris[(E)-2-phenylethenyl]phenyl] phosphate (PubChem CID 18522799) has the molecular formula C30H23O4P-2 and a molecular weight of 478.48 g/mol. Its IUPAC name is [2,3,4-tris[(E)-2-phenylethenyl]phenyl] phosphate.

Molecular Properties

Compound Name[2,3,4-tris[(E)-2-phenylethenyl]phenyl] phosphate
PubChem CID18522799
Molecular FormulaC30H23O4P-2
Molecular Weight478.48 g/mol
Exact Mass478.13
IUPAC Name[2,3,4-tris[(E)-2-phenylethenyl]phenyl] phosphate
SMILESO=P([O-])([O-])Oc1ccc(/C=C/c2ccccc2)c(/C=C/c2ccccc2)c1/C=C/c1ccccc1
InChIInChI=1S/C30H25O4P/c31-35(32,33)34-30-23-20-27(19-16-24-10-4-1-5-11-24)28(21-17-25-12-6-2-7-13-25)29(30)22-18-26-14-8-3-9-15-26/h1-23H,(H2,31,32,33)/p-2/b19-16+,21-17+,22-18+
InChIKeyGZNPCWJMNAYNNB-XJVDSWKZSA-L
XLogP6.41
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.48
LogP ≤ 56.41
H-Bond Donors ≤ 50
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

1-[2,3,4-tris(2-phenylethenyl)phenoxy]propan-1-ol
CID 137440291
1-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenoxy]benzene;phosphoric acid
CID 155345886
CID 172791684
CID 172791684
1-[1-[2,3,4-tris(2-phenylethenyl)phenoxy]cyclopropyl]ethanol
CID 68524089
2-(2-phenylethenyl)phenol;phosphoric acid
CID 67814298
but-2-enedioic acid;2,3,4-tris(2-phenylethenyl)phenol
CID 159401430
1-nitro-2,3-bis(2-phenylethenyl)benzene
CID 155903015
trizinc;[2,3-dimethoxy-5-[(Z)-2-(4-methoxy-2,3-diphosphonatooxyphenyl)ethenyl]phenyl] phosphate
CID 45268839
disodium;hydride;(E)-stilbene
CID 173089328
CID 67900431
CID 67900431
disodium;[2,6-dimethoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
CID 58600722
disodium;phenyl phosphate
CID 2724225

Frequently Asked Questions

What is the IUPAC name of [2,3,4-tris[(E)-2-phenylethenyl]phenyl] phosphate?
The IUPAC name of [2,3,4-tris[(E)-2-phenylethenyl]phenyl] phosphate (CID 18522799) is [2,3,4-tris[(E)-2-phenylethenyl]phenyl] phosphate.
What is the SMILES notation for [2,3,4-tris[(E)-2-phenylethenyl]phenyl] phosphate?
The canonical SMILES for [2,3,4-tris[(E)-2-phenylethenyl]phenyl] phosphate is O=P([O-])([O-])Oc1ccc(/C=C/c2ccccc2)c(/C=C/c2ccccc2)c1/C=C/c1ccccc1.
What is the InChIKey of [2,3,4-tris[(E)-2-phenylethenyl]phenyl] phosphate?
The InChIKey is GZNPCWJMNAYNNB-XJVDSWKZSA-L. The full InChI is InChI=1S/C30H25O4P/c31-35(32,33)34-30-23-20-27(19-16-24-10-4-1-5-11-24)28(21-17-25-12-6-2-7-13-25)29(30)22-18-26-14-8-3-9-15-26/h1-23H,(H2,31,32,33)/p-2/b19-16+,21-17+,22-18+.
What are the key properties of [2,3,4-tris[(E)-2-phenylethenyl]phenyl] phosphate?
[2,3,4-tris[(E)-2-phenylethenyl]phenyl] phosphate has a molecular weight of 478.48 g/mol, XLogP of 6.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,4-tris[(E)-2-phenylethenyl]phenyl] phosphate is sourced from PubChem (CID 18522799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).