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917483-43-3 | Thiophene, 2,2'-(9,10-anthracenediyl)bis[5-[2-(4-iodophenyl)ethenyl]-
CAS No: 917483-43-3 Catalog No: AG006Q13 MDL No:
Product Description
Catalog Number:
AG006Q13
Chemical Name:
Thiophene, 2,2'-(9,10-anthracenediyl)bis[5-[2-(4-iodophenyl)ethenyl]-
CAS Number:
917483-43-3
Molecular Formula:
C38H24I2S2
Molecular Weight:
798.5361
IUPAC Name:
2-[2-(4-iodophenyl)ethenyl]-5-[10-[5-[2-(4-iodophenyl)ethenyl]thiophen-2-yl]anthracen-9-yl]thiophene
InChI:
InChI=1S/C38H24I2S2/c39-27-15-9-25(10-16-27)13-19-29-21-23-35(41-29)37-31-5-1-2-6-32(31)38(34-8-4-3-7-33(34)37)36-24-22-30(42-36)20-14-26-11-17-28(40)18-12-26/h1-24H
InChI Key:
HFZQMSPOAIIKEX-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)C=Cc1ccc(s1)c1c2ccccc2c(c2c1cccc2)c1ccc(s1)C=Cc1ccc(cc1)I
Properties
Complexity:
820
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
797.941g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
798.539g/mol
Monoisotopic Mass:
797.941g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
13
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