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Home > Pyridines > 820972-67-6
820972-67-6 | Pyridine, 2,6-bis[[[4-(9-anthracenyl)phenyl]thio]methyl]-
CAS No: 820972-67-6 Catalog No: AG004WYU MDL No:
Product Description
Catalog Number:
AG004WYU
Chemical Name:
Pyridine, 2,6-bis[[[4-(9-anthracenyl)phenyl]thio]methyl]-
CAS Number:
820972-67-6
Molecular Formula:
C47H33NS2
Molecular Weight:
675.9016
IUPAC Name:
2,6-bis[(4-anthracen-9-ylphenyl)sulfanylmethyl]pyridine
InChI:
InChI=1S/C47H33NS2/c1-5-16-42-34(10-1)28-35-11-2-6-17-43(35)46(42)32-20-24-40(25-21-32)49-30-38-14-9-15-39(48-38)31-50-41-26-22-33(23-27-41)47-44-18-7-3-12-36(44)29-37-13-4-8-19-45(37)47/h1-29H,30-31H2
InChI Key:
XZDMOJPYIONHQG-UHFFFAOYSA-N
SMILES:
c1cc(CSc2ccc(cc2)c2c3ccccc3cc3c2cccc3)nc(c1)CSc1ccc(cc1)c1c2ccccc2cc2c1cccc2
Properties
Complexity:
922
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
675.205g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
675.908g/mol
Monoisotopic Mass:
675.205g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
63.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.2
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