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122504-54-5 | 1H-Isoindol-3-amine, 5,5'-(1,8-anthracenediyl)bis[1-imino-
CAS No: 122504-54-5 Catalog No: AG0017BV MDL No:
Product Description
Catalog Number:
AG0017BV
Chemical Name:
1H-Isoindol-3-amine, 5,5'-(1,8-anthracenediyl)bis[1-imino-
CAS Number:
122504-54-5
Molecular Formula:
C30H20N6
Molecular Weight:
464.5200
IUPAC Name:
5-[8-(1-amino-3-iminoisoindol-5-yl)anthracen-1-yl]-3-iminoisoindol-1-amine
InChI:
InChI=1S/C30H20N6/c31-27-21-9-7-17(12-25(21)29(33)35-27)19-5-1-3-15-11-16-4-2-6-20(24(16)14-23(15)19)18-8-10-22-26(13-18)30(34)36-28(22)32/h1-14H,(H3,31,33,35)(H3,32,34,36)
InChI Key:
COLMHERZHBGURI-UHFFFAOYSA-N
SMILES:
NC1=NC(=N)c2c1cc(cc2)c1cccc2c1cc1c(c2)cccc1c1ccc2c(c1)C(=NC2=N)N
Properties
Complexity:
908
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.175g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
464.532g/mol
Monoisotopic Mass:
464.175g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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