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756485-66-2 | 2,1,3-Benzothiadiazole-4,7-diamine, N,N,N',N'-tetraphenyl-
CAS No: 756485-66-2 Catalog No: AG005J15 MDL No:
Product Description
Catalog Number:
AG005J15
Chemical Name:
2,1,3-Benzothiadiazole-4,7-diamine, N,N,N',N'-tetraphenyl-
CAS Number:
756485-66-2
Molecular Formula:
C30H22N4S
Molecular Weight:
470.5875
IUPAC Name:
4-N,4-N,7-N,7-N-tetraphenyl-2,1,3-benzothiadiazole-4,7-diamine
InChI:
InChI=1S/C30H22N4S/c1-5-13-23(14-6-1)33(24-15-7-2-8-16-24)27-21-22-28(30-29(27)31-35-32-30)34(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H
InChI Key:
BQXKCLXVNOERIA-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N(c1ccc(c2c1nsn2)N(c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.157g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
470.594g/mol
Monoisotopic Mass:
470.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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