Basic information
- CAS
57154-76-4- Standard SMILES
C(=C\CCc1cccc(-c2cccc(-c3ccccn3)n2)n1)/CCc1cccc(-c2cccc(-c3ccccn3)n2)n1- InChIKey
WILXDFZVFYFEJI-OWOJBTEDSA-N- Molecular formula
- C36H30N6
- Average molar mass
- 546.7 g/mol
- Monoisotopic mass
- 546.25319498
Names & identifiers
- Preferred name
- 2,2':6',2''-Terpyridine, 6,6'''-(3-hexene-1,6-diyl)bis-
- IUPAC
- 2-pyridin-2-yl-6-[6-[(E)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]hex-3-enyl]-2-pyridinyl]pyridine
Names & synonyms
2,2':6',2''-Terpyridine, 6,6'''-(3-hexene-1,6-diyl)bis-57154-76-4RefChem:1058923BRN 11951086,6'''-(3-Hexene-1,6-diyl)bis-2,2':6',2''-terpyridine5-26-19-00419 (Beilstein Handbook Reference)
Database identifiers
- CAS
57154-76-4- PubChem CID
- 6446331
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 740
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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