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5521-31-3 | Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone,2,9-dimethyl-
CAS No: 5521-31-3 Catalog No: AG00I9UF MDL No:MFCD00071975
Product Description
Catalog Number:
AG00I9UF
Chemical Name:
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone,2,9-dimethyl-
CAS Number:
5521-31-3
MDL Number:
MFCD00071975
IUPAC Name:
7,18-dimethyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
InChI:
InChI=1S/C26H14N2O4/c1-27-23(29)15-7-3-11-13-5-9-17-22-18(26(32)28(2)25(17)31)10-6-14(20(13)22)12-4-8-16(24(27)30)21(15)19(11)12/h3-10H,1-2H3
InChI Key:
PJQYNUFEEZFYIS-UHFFFAOYSA-N
EC Number:
226-866-1
Properties
Complexity:
789
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.095g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.408g/mol
Monoisotopic Mass:
418.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Photophysics of PTCDA and Me-PTCDI thin films: effects of growth temperature. | The journal of physical chemistry. B 20060406 |
| Laser-induced fluorescence spectroscopy of N,N'-dimethyl 3,4,9,10-perylene tetracarboxylic diimide monomers and oligomers attached to helium nanodroplets. | Physical chemistry chemical physics : PCCP 20050321 |
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