Basic information
- CAS
4189-79-1- Standard SMILES
C(CN1CCc2ccccc2C1)=C(c1ccccc1)c1ccccc1- InChIKey
BFQQRYHBRUGHPY-UHFFFAOYSA-N- Molecular formula
- C24H23N
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.18304974
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-2-(3,3-diphenylallyl)-
- IUPAC
- 2-(3,3-diphenylprop-2-enyl)-3,4-dihydro-1H-isoquinoline
Names & synonyms
BRN 14356884189-79-1ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-2-(3,3-DIPHENYLALLYL)-1,2,3,4-Tetrahydro-2-(3,3-diphenylallyl)isoquinoline2-(3,3-Diphenylallyl)-1,2,3,4-tetrahydroisoquinolineDTXSID301946635-20-06-00324 (Beilstein Handbook Reference)RefChem:349922DTXCID70117154SCHEMBL24495378BDBM6857472-(3,3-diphenylprop-2-en-1-yl)-1,2,3,4-tetrahydroisoquinoline
Show more names
US12043602, Compound NY02212-(3,3-diphenylallyl)-1,2,3,4- tetrahydroisoquinoline
Database identifiers
- CAS
4189-79-1- PubChem CID
- 20157
- DTXSID
DTXSID30194663- Nikkaji
- J94.693A
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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