1,2,4,5-Tetrakis(4-cyanophenyl)benzene
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Basic information
- CAS
633300-89-7- Standard SMILES
N#Cc1ccc(-c2cc(-c3ccc(C#N)cc3)c(-c3ccc(C#N)cc3)cc2-c2ccc(C#N)cc2)cc1- InChIKey
CGBDVDVRYMXSBR-UHFFFAOYSA-N- Molecular formula
- C34H18N4
- Average molar mass
- 482.5 g/mol
- Monoisotopic mass
- 482.15314659
Names & identifiers
- Preferred name
- 1,2,4,5-Tetrakis(4-cyanophenyl)benzene
- IUPAC
- 4-[2,4,5-tris(4-cyanophenyl)phenyl]benzonitrile
- English name
- 1,2,4,5-tetrakis(4-cyanophenyl)benzene
- Molecular formula
- C34H18N4
- Molecular weight
- 482.55
Names & synonyms
1,2,4,5-Tetrakis(4-cyanophenyl)benzene633300-89-74',5'-Bis(4-cyanophenyl)-[1,1':2',1''-terphenyl]-4,4''-dicarbonitrileCS-0170534H51283F691200[1,1':2',1''-Terphenyl]-4,4''-dicarbonitrile, 4',5'-bis(4-cyanophenyl)-
Database identifiers
- CAS
633300-89-7- PubChem CID
- 4183361
- Nikkaji
- J3.512.151J
Properties
Computed structural propertiesFilling in
- XLogP
- 7.3
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 816
Physicochemical properties
- Boiling point
- 692.7 · 692.7±55.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- InChI
- InChI=1S/C34H18N4/c35-19-23-1-9-27(10-2-23)31-17-33(29-13-5-25(21-37)6-14-29)34(30-15-7-26(22-38)8-16-30)18-32(31)28-11-3-24(20-36)4-12-28/h1-18H
- InChIKey
- CGBDVDVRYMXSBR-UHFFFAOYSA-N
- SMILES
- C(C1C=CC(C2C=C(C3C=CC(C#N)=CC=3)C(C3C=CC(C#N)=CC=3)=CC=2C2C=CC(C#N)=CC=2)=CC=1)#N
- 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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