HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

2-{4-[2-([1,1'-Biphenyl]-4-yl)ethenyl]phenyl}-5,7-dichloro-1-benzofuran

HCID 54411368
NotesReactions

Completing data — refresh the page later to see the latest

Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
51358-06-6
Standard SMILES
Clc1cc(Cl)c2oc(-c3ccc(C=Cc4ccc(-c5ccccc5)cc4)cc3)cc2c1
InChIKey
VUJNFTFQCNLQQT-UHFFFAOYSA-N
Molecular formula
C28H18Cl2O
Average molar mass
441.3 g/mol
Monoisotopic mass
440.0734706

Names & identifiers

Preferred name
2-{4-[2-([1,1'-Biphenyl]-4-yl)ethenyl]phenyl}-5,7-dichloro-1-benzofuran
IUPAC
5,7-dichloro-2-[4-[2-(4-phenylphenyl)ethenyl]phenyl]-1-benzofuran

Names & synonyms

51358-06-6SCHEMBL11819778DTXSID10711150VUJNFTFQCNLQQT-UHFFFAOYSA-N5,7-dichloro2-{4-[2-(4-biphenylyl)vinyl]phenyl} benzofuran5,7-dichloro2-{4-[2-(4-biphenylyl)vinyl]phenyl}benzofuran2-{4-[2-([1,1'-Biphenyl]-4-yl)ethen-1-yl]phenyl}-5,7-dichloro-1-benzofuran2-{4-[2-([1,1'-Biphenyl]-4-yl)ethenyl]phenyl}-5,7-dichloro-1-benzofuran

Database identifiers

CAS
51358-06-6
PubChem CID
54411368
DTXSID
DTXSID10711150

Properties

Computed structural propertiesFilling in

XLogP
9.1
Topological polar surface area
13.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
31
Formal charge
0
Complexity
584

Related reactions

3 records
New reaction record
HRID 96941 reaction equation
HRID 96941As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1579930 reaction equation
HRID 1579930As productuspto-grants-1976_01
HRID 1730638 reaction equation
HRID 1730638As productuspto-grants-1976_11

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes