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155143-84-3 | 2,2':5',2'':5'',2''':5''',2'''':5'''',2'''''-Sexithiophene, 3,3'',4''',3'''''-tetrahexyl-
CAS No: 155143-84-3 Catalog No: AG001NNM MDL No:
Product Description
Catalog Number:
AG001NNM
Chemical Name:
2,2':5',2'':5'',2''':5''',2'''':5'''',2'''''-Sexithiophene, 3,3'',4''',3'''''-tetrahexyl-
CAS Number:
155143-84-3
Molecular Formula:
C48H62S6
Molecular Weight:
831.3959
IUPAC Name:
3-hexyl-5-[4-hexyl-5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophene
InChI:
InChI=1S/C48H62S6/c1-5-9-13-17-21-35-29-31-49-45(35)39-25-27-41(51-39)47-37(23-19-15-11-7-3)33-43(53-47)44-34-38(24-20-16-12-8-4)48(54-44)42-28-26-40(52-42)46-36(30-32-50-46)22-18-14-10-6-2/h25-34H,5-24H2,1-4H3
InChI Key:
FWWUKSJVPZQOKO-UHFFFAOYSA-N
SMILES:
CCCCCCc1cc(sc1c1ccc(s1)c1sccc1CCCCCC)c1cc(c(s1)c1ccc(s1)c1sccc1CCCCCC)CCCCCC
Properties
Complexity:
930
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
830.318g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
831.384g/mol
Monoisotopic Mass:
830.318g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
169A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
20.3
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