1,1':3',1''-Terphenyl, 2'-iodo-2,2'',4,4'',5',6,6''-heptamethyl-
Basic information
- CAS
192071-13-9- Standard SMILES
Cc1cc(C)c(-c2cc(C)cc(-c3c(C)cc(C)cc3C)c2I)c(C)c1- InChIKey
KQYQLSXFFLOSBG-UHFFFAOYSA-N- Molecular formula
- C25H27I
- Average molar mass
- 454.4 g/mol
- Monoisotopic mass
- 454.11575
Names & identifiers
- Preferred name
- 1,1':3',1''-Terphenyl, 2'-iodo-2,2'',4,4'',5',6,6''-heptamethyl-
- IUPAC
- 2-iodo-5-methyl-1,3-bis(2,4,6-trimethylphenyl)benzene
Names & synonyms
192071-13-91,1':3',1''-Terphenyl, 2'-iodo-2,2'',4,4'',5',6,6''-heptamethyl-DTXSID10412993RefChem:212472DTXCID003638442~2~-Iodo-1~2~,1~4~,1~6~,2~5~,3~2~,3~4~,3~6~-heptamethyl-1~1~,2~1~:2~3~,3~1~-terphenyl
Database identifiers
- CAS
192071-13-9- PubChem CID
- 5246743
- DTXSID
DTXSID10412993
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…