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Home > Pyridines > 168289-78-9
168289-78-9 | Pyridine, 4,4',4''-(1,3,5-benzenetriyltri-2,1-ethynediyl)tris-
CAS No: 168289-78-9 Catalog No: AG001Y00 MDL No:
Product Description
Catalog Number:
AG001Y00
Chemical Name:
Pyridine, 4,4',4''-(1,3,5-benzenetriyltri-2,1-ethynediyl)tris-
CAS Number:
168289-78-9
Molecular Formula:
C27H15N3
Molecular Weight:
381.4281
IUPAC Name:
4-[2-[3,5-bis(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine
InChI:
InChI=1S/C27H15N3/c1(22-7-13-28-14-8-22)4-25-19-26(5-2-23-9-15-29-16-10-23)21-27(20-25)6-3-24-11-17-30-18-12-24/h7-21H
InChI Key:
BBEZONFKGMUPNJ-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)C#Cc1cc(C#Cc2ccncc2)cc(c1)C#Cc1ccncc1
Properties
Complexity:
625
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.127g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.438g/mol
Monoisotopic Mass:
381.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Self-assembly of nanoscale supramolecular truncated tetrahedra. | The Journal of organic chemistry 20050610 |
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