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68310-03-2 | 4'-[[4'-(6,11-dihydro-6,11-dioxoanthra[2,1-d]oxazol-2-yl)[1,1'-biphenyl]-4-yl]azo]-N-(9,10-dihydro-9,10-dioxo-2-anthryl)[1,1'-biphenyl]-4-carboxamide
CAS No: 68310-03-2 Catalog No: AG00FOUW MDL No:
Product Description
Catalog Number:
AG00FOUW
Chemical Name:
4'-[[4'-(6,11-dihydro-6,11-dioxoanthra[2,1-d]oxazol-2-yl)[1,1'-biphenyl]-4-yl]azo]-N-(9,10-dihydro-9,10-dioxo-2-anthryl)[1,1'-biphenyl]-4-carboxamide
CAS Number:
68310-03-2
IUPAC Name:
N-(9,10-dioxoanthracen-2-yl)-4-[4-[[4-[4-(6,11-dioxonaphtho[2,3-g][1,3]benzoxazol-2-yl)phenyl]phenyl]diazenyl]phenyl]benzamide
InChI:
InChI=1S/C54H30N4O6/c59-48-39-5-1-2-6-40(39)50(61)45-29-38(25-26-43(45)48)55-53(63)34-13-9-30(10-14-34)32-17-21-36(22-18-32)57-58-37-23-19-33(20-24-37)31-11-15-35(16-12-31)54-56-46-28-27-44-47(52(46)64-54)51(62)42-8-4-3-7-41(42)49(44)60/h1-29H,(H,55,63)
InChI Key:
FMRNNSYWICBJSS-UHFFFAOYSA-N
EC Number:
269-691-6
Properties
Complexity:
1770
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
830.217g/mol
Formal Charge:
0
Heavy Atom Count:
64
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
830.856g/mol
Monoisotopic Mass:
830.217g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.2
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