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12227-50-8 | [1,1'-Biphenyl]-4-carboxamide, 4',4'''-(1,2-diazenediyl)bis[N-(9,10-dihydro-9,10-dioxo-1-anthracenyl)-
CAS No: 12227-50-8 Catalog No: AG00171H MDL No:MFCD00800446
Product Description
Catalog Number:
AG00171H
Chemical Name:
[1,1'-Biphenyl]-4-carboxamide, 4',4'''-(1,2-diazenediyl)bis[N-(9,10-dihydro-9,10-dioxo-1-anthracenyl)-
CAS Number:
12227-50-8
Molecular Formula:
C54H32N4O6
Molecular Weight:
832.8551
MDL Number:
MFCD00800446
IUPAC Name:
N-(9,10-dioxoanthracen-1-yl)-4-[4-[[4-[4-[(9,10-dioxoanthracen-1-yl)carbamoyl]phenyl]phenyl]diazenyl]phenyl]benzamide
InChI:
InChI=1S/C54H32N4O6/c59-49-39-7-1-3-9-41(39)51(61)47-43(49)11-5-13-45(47)55-53(63)35-19-15-31(16-20-35)33-23-27-37(28-24-33)57-58-38-29-25-34(26-30-38)32-17-21-36(22-18-32)54(64)56-46-14-6-12-44-48(46)52(62)42-10-4-2-8-40(42)50(44)60/h1-30H,(H,55,63)(H,56,64)
InChI Key:
AJDUTMFFZHIJEM-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)c1ccc(cc1)N=Nc1ccc(cc1)c1ccc(cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)Nc1cccc2c1C(=O)c1ccccc1C2=O
EC Number:
235-436-2
Properties
Complexity:
1640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
832.232g/mol
Formal Charge:
0
Heavy Atom Count:
64
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
832.872g/mol
Monoisotopic Mass:
832.232g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.6
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