1,1',1''-(1,3-Butadien-1-yl-4-ylidene)trisbenzene
Basic information
- CAS
18720-11-1- Standard SMILES
C(=Cc1ccccc1)C=C(c1ccccc1)c1ccccc1- InChIKey
ZXJYAYKVSJJDNO-UHFFFAOYSA-N- Molecular formula
- C22H18
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.14085057
Names & identifiers
- Preferred name
- 1,1',1''-(1,3-Butadien-1-yl-4-ylidene)trisbenzene
- IUPAC
- 1,4-diphenylbuta-1,3-dienylbenzene
Names & synonyms
EINECS 242-529-1SCHEMBL3931551,1',1''-(1,3-Butadien-1-yl-4-ylidene)trisbenzeneSCHEMBL28995753ZXJYAYKVSJJDNO-UHFFFAOYSA-NDTXSID701222216NSC 96931NS000481401,1',1''-(Buta-1,3-diene-1,1,4-triyl)tribenzene1,1a(2),1a(2)a(2)-(1,3-Butadien-1-yl-4-ylidene)tris[benzene]
Database identifiers
- CAS
18720-11-1- PubChem CID
- 86780
- DTXSID
DTXSID701222216- EC Number
- 242-529-1
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 337
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
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Compound notes
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