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119379-80-5 | 9,10-Anthracenedione, 1,4,5,8-tetrakis[(3-methylphenyl)amino]-
CAS No: 119379-80-5 Catalog No: AG000IOB MDL No:
Product Description
Catalog Number:
AG000IOB
Chemical Name:
9,10-Anthracenedione, 1,4,5,8-tetrakis[(3-methylphenyl)amino]-
CAS Number:
119379-80-5
Molecular Formula:
C42H36N4O2
Molecular Weight:
628.7608
IUPAC Name:
1,4,5,8-tetrakis(3-methylanilino)anthracene-9,10-dione
InChI:
InChI=1S/C42H36N4O2/c1-25-9-5-13-29(21-25)43-33-17-18-34(44-30-14-6-10-26(2)22-30)38-37(33)41(47)39-35(45-31-15-7-11-27(3)23-31)19-20-36(40(39)42(38)48)46-32-16-8-12-28(4)24-32/h5-24,43-46H,1-4H3
InChI Key:
BNAIJSVVRZWCTB-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)Nc1ccc(c2c1C(=O)c1c(C2=O)c(ccc1Nc1cccc(c1)C)Nc1cccc(c1)C)Nc1cccc(c1)C
Properties
Complexity:
934
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
628.284g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
628.776g/mol
Monoisotopic Mass:
628.284g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.6
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