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918944-65-7 | 2,2'-Bipyridine, 5,5'-bis[2-[4-iodo-2,5-bis(octyloxy)phenyl]ethenyl]-
CAS No: 918944-65-7 Catalog No: AG006LRJ MDL No:
Product Description
Catalog Number:
AG006LRJ
Chemical Name:
2,2'-Bipyridine, 5,5'-bis[2-[4-iodo-2,5-bis(octyloxy)phenyl]ethenyl]-
CAS Number:
918944-65-7
Molecular Formula:
C58H82I2N2O4
Molecular Weight:
1125.0916
IUPAC Name:
5-[2-(4-iodo-2,5-dioctoxyphenyl)ethenyl]-2-[5-[2-(4-iodo-2,5-dioctoxyphenyl)ethenyl]pyridin-2-yl]pyridine
InChI:
InChI=1S/C58H82I2N2O4/c1-5-9-13-17-21-25-37-63-55-43-51(59)57(65-39-27-23-19-15-11-7-3)41-49(55)33-29-47-31-35-53(61-45-47)54-36-32-48(46-62-54)30-34-50-42-58(66-40-28-24-20-16-12-8-4)52(60)44-56(50)64-38-26-22-18-14-10-6-2/h29-36,41-46H,5-28,37-40H2,1-4H3
InChI Key:
IKTZGCLFONPBTB-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1cc(I)c(cc1C=Cc1ccc(nc1)c1ccc(cn1)C=Cc1cc(OCCCCCCCC)c(cc1OCCCCCCCC)I)OCCCCCCCC
Properties
Complexity:
1120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1124.436g/mol
Formal Charge:
0
Heavy Atom Count:
66
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1125.113g/mol
Monoisotopic Mass:
1124.436g/mol
Rotatable Bond Count:
37
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
20.9
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