Basic information
- CAS
1185909-06-1- Standard SMILES
C(#Cc1cc(C#Cc2ccncc2)cc(-c2cc(C#Cc3ccncc3)cc(C#Cc3ccncc3)c2)c1)c1ccncc1- InChIKey
KSSJDVSJCJKTPX-UHFFFAOYSA-N- Molecular formula
- C40H22N4
- Average molar mass
- 558.6 g/mol
- Monoisotopic mass
- 558.18444672
Names & identifiers
- Preferred name
- 3,3',5,5'-Tetrakis(pyridin-4-ylethynyl)-1,1'-biphenyl
- IUPAC
- 4-[2-[3-[3,5-bis(2-pyridin-4-ylethynyl)phenyl]-5-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine
- English name
- 3,3',5,5'-tetrakis(pyridin-4-ylethynyl)-1,1'-biphenyl
- Molecular formula
- C40H22N4
- Molecular weight
- 558.63
Names & synonyms
1185909-06-13,3',5,5'-Tetrakis(pyridin-4-ylethynyl)-1,1'-biphenyl4,4',4'',4'''-([1,1'-Biphenyl]-3,3',5,5'-tetrayltetra-2,1-ethynediyl)tetrakis[pyridine]orb32142803,5,3',5'-tetrakis(pyridylethynyl)biphenylCS-0170244H40460F691127Pyridine, 4,4',4'',4'''-([1,1'-biphenyl]-3,3',5,5'-tetrayltetra-2,1-ethynediyl)tetrakis-4,4′,4′′,4′′′-([1,1′-Biphenyl]-3,3′,5,5′-tetrayltetra-2,1-ethynediyl)tetrakis[pyridine
Database identifiers
- CAS
1185909-06-1- PubChem CID
- 101488052
- Nikkaji
- J2.756.803C
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,000
Physicochemical properties
- Melting point
- 121 · 121-122 °C
- Boiling point
- 856.4 · 856.4±65.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 5.13 · 5.13±0.35(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
Chemistry & industry
Suppliers11 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
吉林中科研伸科技有限公司0431-80534353 19917294565 · [email protected]
山东弗珍化学科技有限公司13146841504 · [email protected]
吉林中科研伸科技有限公司0431-80534350 15044023330 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
河南利恩化工产品有限公司03716091-9097 13383857418 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
郑州浩创新材料有限公司19139721821; 19139721821 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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