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188716-22-5 | 1,3,4-Thiadiazole, 2,2'-[1,1'-biphenyl]-4,4'-diylbis[5-(1-naphthalenyl)- (9CI)
CAS No: 188716-22-5 Catalog No: AG002H7A MDL No:
Product Description
Catalog Number:
AG002H7A
Chemical Name:
1,3,4-Thiadiazole, 2,2'-[1,1'-biphenyl]-4,4'-diylbis[5-(1-naphthalenyl)- (9CI)
CAS Number:
188716-22-5
Molecular Formula:
C36H22N4S2
Molecular Weight:
574.7167
IUPAC Name:
2-naphthalen-1-yl-5-[4-[4-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)phenyl]phenyl]-1,3,4-thiadiazole
InChI:
InChI=1S/C36H22N4S2/c1-3-11-29-25(7-1)9-5-13-31(29)35-39-37-33(41-35)27-19-15-23(16-20-27)24-17-21-28(22-18-24)34-38-40-36(42-34)32-14-6-10-26-8-2-4-12-30(26)32/h1-22H
InChI Key:
AKQSEICXUQQLHM-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c(ccc2)c1nnc(s1)c1ccc(cc1)c1ccc(cc1)c1nnc(s1)c1cccc2c1cccc2
Properties
Complexity:
803
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
574.129g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
574.72g/mol
Monoisotopic Mass:
574.129g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.6
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