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53460-09-6 | 1,1'-[[6-(pyridin-4-yl)-1,3,5-triazine-2,4-diyl]diimino]bisanthraquinone
CAS No: 53460-09-6 Catalog No: AG00E3EI MDL No:
Product Description
Catalog Number:
AG00E3EI
Chemical Name:
1,1'-[[6-(pyridin-4-yl)-1,3,5-triazine-2,4-diyl]diimino]bisanthraquinone
CAS Number:
53460-09-6
IUPAC Name:
1-[[4-[(9,10-dioxoanthracen-1-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]amino]anthracene-9,10-dione
InChI:
InChI=1S/C36H20N6O4/c43-30-20-7-1-3-9-22(20)32(45)28-24(30)11-5-13-26(28)38-35-40-34(19-15-17-37-18-16-19)41-36(42-35)39-27-14-6-12-25-29(27)33(46)23-10-4-2-8-21(23)31(25)44/h1-18H,(H2,38,39,40,41,42)
InChI Key:
MSQOPYJFCWPXGX-UHFFFAOYSA-N
EC Number:
258-568-2
Properties
Complexity:
1110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
600.155g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
600.594g/mol
Monoisotopic Mass:
600.155g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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