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71334-59-3 | 9,10-Anthracenedione,1,5-bis[(4-ethylphenyl)amino]-
CAS No: 71334-59-3 Catalog No: AG005JQ1 MDL No:
Product Description
Catalog Number:
AG005JQ1
Chemical Name:
9,10-Anthracenedione,1,5-bis[(4-ethylphenyl)amino]-
CAS Number:
71334-59-3
Molecular Formula:
C30H26N2O2
Molecular Weight:
446.5396
IUPAC Name:
1,5-bis(4-ethylanilino)anthracene-9,10-dione
InChI:
InChI=1S/C30H26N2O2/c1-3-19-11-15-21(16-12-19)31-25-9-5-7-23-27(25)29(33)24-8-6-10-26(28(24)30(23)34)32-22-17-13-20(4-2)14-18-22/h5-18,31-32H,3-4H2,1-2H3
InChI Key:
DHIHFWLVDSRFDG-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)Nc1cccc2c1C(=O)c1c(C2=O)c(ccc1)Nc1ccc(cc1)CC
EC Number:
275-338-7
Properties
Complexity:
647
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.199g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
446.55g/mol
Monoisotopic Mass:
446.199g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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