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155064-29-2 | Benzene, 1,3,5-tris[2-[3,5-bis(1,1-dimethylethyl)phenyl]ethynyl]-
CAS No: 155064-29-2 Catalog No: AG001NLF MDL No:
Product Description
Catalog Number:
AG001NLF
Chemical Name:
Benzene, 1,3,5-tris[2-[3,5-bis(1,1-dimethylethyl)phenyl]ethynyl]-
CAS Number:
155064-29-2
Molecular Formula:
C54H66
Molecular Weight:
715.1018
IUPAC Name:
1,3,5-tris[2-(3,5-ditert-butylphenyl)ethynyl]benzene
InChI:
InChI=1S/C54H66/c1-49(2,3)43-28-40(29-44(34-43)50(4,5)6)22-19-37-25-38(20-23-41-30-45(51(7,8)9)35-46(31-41)52(10,11)12)27-39(26-37)21-24-42-32-47(53(13,14)15)36-48(33-42)54(16,17)18/h25-36H,1-18H3
InChI Key:
VLNZYGOWUWOWBJ-UHFFFAOYSA-N
SMILES:
CC(c1cc(C#Cc2cc(C#Cc3cc(cc(c3)C(C)(C)C)C(C)(C)C)cc(c2)C#Cc2cc(cc(c2)C(C)(C)C)C(C)(C)C)cc(c1)C(C)(C)C)(C)C
Properties
Complexity:
1190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
714.516g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
715.122g/mol
Monoisotopic Mass:
714.516g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
18
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