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Home > Fluorides > 873651-39-9
873651-39-9 | 2,2':5',2''-Terthiophene, 5,5''-bis(9,9-dioctyl-9H-fluoren-2-yl)-
CAS No: 873651-39-9 Catalog No: AG004NUM MDL No:
Product Description
Catalog Number:
AG004NUM
Chemical Name:
2,2':5',2''-Terthiophene, 5,5''-bis(9,9-dioctyl-9H-fluoren-2-yl)-
CAS Number:
873651-39-9
Molecular Formula:
C70H88S3
Molecular Weight:
1025.6427
IUPAC Name:
2,5-bis[5-(9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophene
InChI:
InChI=1S/C70H88S3/c1-5-9-13-17-21-29-47-69(48-30-22-18-14-10-6-2)59-35-27-25-33-55(59)57-39-37-53(51-61(57)69)63-41-43-65(71-63)67-45-46-68(73-67)66-44-42-64(72-66)54-38-40-58-56-34-26-28-36-60(56)70(62(58)52-54,49-31-23-19-15-11-7-3)50-32-24-20-16-12-8-4/h25-28,33-46,51-52H,5-24,29-32,47-50H2,1-4H3
InChI Key:
ZWIJOOCIGZJMIZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCC1(CCCCCCCC)c2cc(ccc2c2c1cccc2)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc2c(c1)C(CCCCCCCC)(CCCCCCCC)c1c2cccc1
Properties
Complexity:
1380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1024.605g/mol
Formal Charge:
0
Heavy Atom Count:
73
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1025.654g/mol
Monoisotopic Mass:
1024.605g/mol
Rotatable Bond Count:
32
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
27.8
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