Basic information
- CAS
568594-80-9- Standard SMILES
Oc1ccc(CCCCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)nn2)cc1- InChIKey
SCFKODVHLCHLLE-UHFFFAOYSA-N- Molecular formula
- C31H29N3O
- Average molar mass
- 459.6 g/mol
- Monoisotopic mass
- 459.23106256
Names & identifiers
- Preferred name
- 4-{4-[1-(Triphenylmethyl)-1H-1,2,3-triazol-4-yl]butyl}phenol
- IUPAC
- 4-[4-(1-trityltriazol-4-yl)butyl]phenol
Names & synonyms
568594-80-9SCHEMBL5041170DTXSID00635174SCFKODVHLCHLLE-UHFFFAOYSA-N4-{4-[1-(Triphenylmethyl)-1H-1,2,3-triazol-4-yl]butyl}phenol4-[4-(1-Trityl-1H-[1,2,3]triazol-4-yl)-butyl]-phenol
Database identifiers
- CAS
568594-80-9- PubChem CID
- 23614547
- DTXSID
DTXSID00635174
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 555
Related reactions
6 records
Compound notes
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