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129-22-6 | 9,10-Anthracenedione, 1,1'-[(7-oxo-7H-benz[de]anthracene-3,9-diyl)diimino]bis-
CAS No: 129-22-6 Catalog No: AG000YRN MDL No:
Product Description
Catalog Number:
AG000YRN
Chemical Name:
9,10-Anthracenedione, 1,1'-[(7-oxo-7H-benz[de]anthracene-3,9-diyl)diimino]bis-
CAS Number:
129-22-6
Molecular Formula:
C45H24N2O5
Molecular Weight:
672.6825
IUPAC Name:
1-[[3-[(9,10-dioxoanthracen-1-yl)amino]-7-oxobenzo[a]phenalen-9-yl]amino]anthracene-9,10-dione
InChI:
InChI=1S/C45H24N2O5/c48-41-26-8-1-3-10-28(26)44(51)39-32(41)14-6-16-36(39)46-23-18-19-24-25-20-21-35(30-12-5-13-31(38(25)30)43(50)34(24)22-23)47-37-17-7-15-33-40(37)45(52)29-11-4-2-9-27(29)42(33)49/h1-22,46-47H
InChI Key:
HJWRIENCONWZPB-UHFFFAOYSA-N
SMILES:
O=C1c2c(cccc2C(=O)c2c1cccc2)Nc1ccc2c(c1)C(=O)c1c3c2ccc(c3ccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O
EC Number:
204-937-8
Properties
Complexity:
1470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
672.169g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
672.696g/mol
Monoisotopic Mass:
672.169g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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