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116-74-5 | 9,10-Anthracenedione, 1,4-bis[(2,4,6-triethylphenyl)amino]-
CAS No: 116-74-5 Catalog No: AG000BCE MDL No:
Product Description
Catalog Number:
AG000BCE
Chemical Name:
9,10-Anthracenedione, 1,4-bis[(2,4,6-triethylphenyl)amino]-
CAS Number:
116-74-5
Molecular Formula:
C38H42N2O2
Molecular Weight:
558.7523
IUPAC Name:
1,4-bis(2,4,6-triethylanilino)anthracene-9,10-dione
InChI:
InChI=1S/C38H42N2O2/c1-7-23-19-25(9-3)35(26(10-4)20-23)39-31-17-18-32(40-36-27(11-5)21-24(8-2)22-28(36)12-6)34-33(31)37(41)29-15-13-14-16-30(29)38(34)42/h13-22,39-40H,7-12H2,1-6H3
InChI Key:
ODDMIDRERDTWDF-UHFFFAOYSA-N
SMILES:
CCc1cc(CC)cc(c1Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)Nc1c(CC)cc(cc1CC)CC)CC
EC Number:
204-154-1
Properties
Complexity:
804
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
558.325g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
558.766g/mol
Monoisotopic Mass:
558.325g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.8
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