1-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenoxy]benzene;phosphoric acid

C28H25O5P — CID 155345886

IUPAC1-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenoxy]benzene;phosphoric acid
SMILESC(=Cc1ccccc1Oc1ccccc1C=Cc1ccccc1)c1ccccc1.O=P(O)(O)O
InChIInChI=1S/C28H22O.H3O4P/c1-3-11-23(12-4-1)19-21-25-15-7-9-17-27(25)29-28-18-10-8-16-26(28)22-20-24-13-5-2-6-14-24;1-5(2,3)4/h1-22H;(H3,1,2,3,4)
InChIKeyCGWBKWYUTZPDLJ-UHFFFAOYSA-N
MW472.48 g/mol
LogP6.89
Rot. Bonds6

About 1-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenoxy]benzene;phosphoric acid

1-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenoxy]benzene;phosphoric acid (PubChem CID 155345886) has the molecular formula C28H25O5P and a molecular weight of 472.48 g/mol. Its IUPAC name is 1-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenoxy]benzene;phosphoric acid.

Molecular Properties

Compound Name1-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenoxy]benzene;phosphoric acid
PubChem CID155345886
Molecular FormulaC28H25O5P
Molecular Weight472.48 g/mol
Exact Mass472.14
IUPAC Name1-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenoxy]benzene;phosphoric acid
SMILESC(=Cc1ccccc1Oc1ccccc1C=Cc1ccccc1)c1ccccc1.O=P(O)(O)O
InChIInChI=1S/C28H22O.H3O4P/c1-3-11-23(12-4-1)19-21-25-15-7-9-17-27(25)29-28-18-10-8-16-26(28)22-20-24-13-5-2-6-14-24;1-5(2,3)4/h1-22H;(H3,1,2,3,4)
InChIKeyCGWBKWYUTZPDLJ-UHFFFAOYSA-N
XLogP6.89
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.48
LogP ≤ 56.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenylethenyl)phenol;phosphoric acid
CID 67814298
benzene;1-ethenyl-2-(2-ethenylphenoxy)benzene;phosphoric acid
CID 174842663
2-[2-(2-phenylethenyl)phenoxy]ethanol
CID 70576558
2-[4-(2-phenylethenyl)phenoxy]benzaldehyde
CID 57248486
3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-ol
CID 21078223
1-(2-chloroethoxy)-2-[(E)-2-phenylethenyl]benzene
CID 22755686
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-amine
CID 20555192
[2,3,4-tris[(E)-2-phenylethenyl]phenyl] phosphate
CID 18522799
3-[2-(2-phenylethenyl)phenyl]prop-2-enoic acid
CID 70472676
tetrakis[2-[(E)-2-phenylethenyl]phenyl]silane
CID 22630526
3-(2-phenoxyphenyl)prop-2-enoic acid
CID 737422

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenoxy]benzene;phosphoric acid?
The IUPAC name of 1-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenoxy]benzene;phosphoric acid (CID 155345886) is 1-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenoxy]benzene;phosphoric acid.
What is the SMILES notation for 1-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenoxy]benzene;phosphoric acid?
The canonical SMILES for 1-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenoxy]benzene;phosphoric acid is C(=Cc1ccccc1Oc1ccccc1C=Cc1ccccc1)c1ccccc1.O=P(O)(O)O.
What is the InChIKey of 1-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenoxy]benzene;phosphoric acid?
The InChIKey is CGWBKWYUTZPDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O.H3O4P/c1-3-11-23(12-4-1)19-21-25-15-7-9-17-27(25)29-28-18-10-8-16-26(28)22-20-24-13-5-2-6-14-24;1-5(2,3)4/h1-22H;(H3,1,2,3,4).
What are the key properties of 1-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenoxy]benzene;phosphoric acid?
1-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenoxy]benzene;phosphoric acid has a molecular weight of 472.48 g/mol, XLogP of 6.89, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethenyl)-2-[2-(2-phenylethenyl)phenoxy]benzene;phosphoric acid is sourced from PubChem (CID 155345886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).