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136662-60-7 | 9,10-Anthracenedione, 1,4,5,8-tetrakis[[4-(1-methylethyl)phenyl]amino]-
CAS No: 136662-60-7 Catalog No: AG00126F MDL No:
Product Description
Catalog Number:
AG00126F
Chemical Name:
9,10-Anthracenedione, 1,4,5,8-tetrakis[[4-(1-methylethyl)phenyl]amino]-
CAS Number:
136662-60-7
Molecular Formula:
C50H52N4O2
Molecular Weight:
740.9735
IUPAC Name:
1,4,5,8-tetrakis(4-propan-2-ylanilino)anthracene-9,10-dione
InChI:
InChI=1S/C50H52N4O2/c1-29(2)33-9-17-37(18-10-33)51-41-25-26-42(52-38-19-11-34(12-20-38)30(3)4)46-45(41)49(55)47-43(53-39-21-13-35(14-22-39)31(5)6)27-28-44(48(47)50(46)56)54-40-23-15-36(16-24-40)32(7)8/h9-32,51-54H,1-8H3
InChI Key:
FIDPYUBBJAQHEV-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)Nc1ccc(c2c1C(=O)c1c(ccc(c1C2=O)Nc1ccc(cc1)C(C)C)Nc1ccc(cc1)C(C)C)Nc1ccc(cc1)C(C)C)C
Properties
Complexity:
1060
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
740.409g/mol
Formal Charge:
0
Heavy Atom Count:
56
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
740.992g/mol
Monoisotopic Mass:
740.409g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.6
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