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71866-86-9 | 1,1':3',1''-Terphenyl, 4,4''-diethynyl-5'-(4-ethynylphenyl)-
CAS No: 71866-86-9 Catalog No: AG005FC3 MDL No:
Product Description
Catalog Number:
AG005FC3
Chemical Name:
1,1':3',1''-Terphenyl, 4,4''-diethynyl-5'-(4-ethynylphenyl)-
CAS Number:
71866-86-9
Molecular Formula:
C30H18
Molecular Weight:
378.4639
IUPAC Name:
1,3,5-tris(4-ethynylphenyl)benzene
InChI:
InChI=1S/C30H18/c1-4-22-7-13-25(14-8-22)28-19-29(26-15-9-23(5-2)10-16-26)21-30(20-28)27-17-11-24(6-3)12-18-27/h1-3,7-21H
InChI Key:
XJIJQOFZIULKCI-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C#C)c1ccc(cc1)C#C
Properties
Complexity:
579
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.141g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.474g/mol
Monoisotopic Mass:
378.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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