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164025-88-1 | 1,1':3',1''-Terphenyl, 4,4''-bis(2-phenylethynyl)-5'-[4-(2-phenylethynyl)phenyl]-
CAS No: 164025-88-1 Catalog No: AG001ULH MDL No:
Product Description
Catalog Number:
AG001ULH
Chemical Name:
1,1':3',1''-Terphenyl, 4,4''-bis(2-phenylethynyl)-5'-[4-(2-phenylethynyl)phenyl]-
CAS Number:
164025-88-1
Molecular Formula:
C48H30
Molecular Weight:
606.7518
IUPAC Name:
1,3,5-tris[4-(2-phenylethynyl)phenyl]benzene
InChI:
InChI=1S/C48H30/c1-4-10-37(11-5-1)16-19-40-22-28-43(29-23-40)46-34-47(44-30-24-41(25-31-44)20-17-38-12-6-2-7-13-38)36-48(35-46)45-32-26-42(27-33-45)21-18-39-14-8-3-9-15-39/h1-15,22-36H
InChI Key:
OLHPWSBJPACORD-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C#Cc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C#Cc1ccccc1)c1ccc(cc1)C#Cc1ccccc1
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
606.235g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
606.768g/mol
Monoisotopic Mass:
606.235g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.9
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