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88653-18-3 | 9,10-Anthracenedione, 1-amino-4-([1,1'-biphenyl]-4-ylamino)-
CAS No: 88653-18-3 Catalog No: AG0048XR MDL No:
Product Description
Catalog Number:
AG0048XR
Chemical Name:
9,10-Anthracenedione, 1-amino-4-([1,1'-biphenyl]-4-ylamino)-
CAS Number:
88653-18-3
Molecular Formula:
C26H18N2O2
Molecular Weight:
390.4333
IUPAC Name:
1-amino-4-(4-phenylanilino)anthracene-9,10-dione
InChI:
InChI=1S/C26H18N2O2/c27-21-14-15-22(24-23(21)25(29)19-8-4-5-9-20(19)26(24)30)28-18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-15,28H,27H2
InChI Key:
HIGZGUFHIDJASU-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)c2c1c(ccc2N)Nc1ccc(cc1)c1ccccc1
Properties
Complexity:
635
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.137g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
390.442g/mol
Monoisotopic Mass:
390.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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