1,1':3',1''-Terphenyl, 2'-iodo-4,4''-dimethyl-
Basic information
- CAS
167500-04-1- Standard SMILES
Cc1ccc(-c2cccc(-c3ccc(C)cc3)c2I)cc1- InChIKey
WJZVPEGNZWPGJE-UHFFFAOYSA-N- Molecular formula
- C20H17I
- Average molar mass
- 384.3 g/mol
- Monoisotopic mass
- 384.0375
Names & identifiers
- Preferred name
- 1,1':3',1''-Terphenyl, 2'-iodo-4,4''-dimethyl-
- IUPAC
- 2-iodo-1,3-bis(4-methylphenyl)benzene
- English name
- 1,1':3',1''-Terphenyl, 2'-iodo-4,4''-dimethyl-
- Molecular formula
- C20H17I
- Molecular weight
- 384.25
Names & synonyms
167500-04-11,1':3',1''-Terphenyl, 2'-iodo-4,4''-dimethyl-DTXSID10403068RefChem:212473DTXCID60353923SCHEMBL12285691RCL L253170AKOS0244087752~2~-Iodo-1~4~,3~4~-dimethyl-1~1~,2~1~:2~3~,3~1~-terphenyl
Database identifiers
- CAS
167500-04-1- PubChem CID
- 4418062
- DTXSID
DTXSID10403068
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Melting point
- 138 · 138-140 °C
- Boiling point
- 455.8 · 455.8±34.0 °C(Predicted)
- Density
- 1.399 · 1.399±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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