N-([1,1'-Biphenyl]-3-yl)-[1,1':4',1''-terphenyl]-4-amine
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Basic information
- CAS
1458108-08-1- Standard SMILES
c1ccc(-c2ccc(-c3ccc(Nc4cccc(-c5ccccc5)c4)cc3)cc2)cc1- InChIKey
CUQIOTJCJWFABS-UHFFFAOYSA-N- Molecular formula
- C30H23N
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.18304974
Names & identifiers
- Preferred name
- N-([1,1'-Biphenyl]-3-yl)-[1,1':4',1''-terphenyl]-4-amine
- IUPAC
- 3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
- English name
- [1,1':4',1''-Terphenyl]-4-amine, N-[1,1'-biphenyl]-3-yl-
- Molecular formula
- C30H23N
- Molecular weight
- 397.51
Names & synonyms
1458108-08-1N-([1,1'-Biphenyl]-3-yl)-[1,1':4',1''-terphenyl]-4-amineN-[1,1'-Biphenyl]-3-yl[1,1':4',1''-terphenyl]-4-amineSCHEMBL18873125SCHEMBL31228270AS-97183N-[1,1 inverted exclamation marka-Biphenyl]-3-yl[1,1 inverted exclamation marka:4 inverted exclamation marka,1 inverted exclamation marka inverted exclamation marka-terphenyl]-4-amine1,1':4',1''-Terphenyl]-4-amine, N-[1,1'-biphenyl]-3-yl-[1,1':4',1''-Terphenyl]-4-amine, N-[1,1'-biphenyl]-3-yl-
Database identifiers
- CAS
1458108-08-1- PubChem CID
- 129146258
Properties
Computed structural propertiesFilling in
- XLogP
- 8.3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 501
Physicochemical properties
- Boiling point
- 613.8 · 613.8±44.0 °C(Predicted)
- Density
- 1.131 · 1.131±0.06 g/cm3(Predicted)
- pka
- 0.86 · 0.86±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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