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95689-91-1 | Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone,2,9-diheptyl-
CAS No: 95689-91-1 Catalog No: AG00IJCI MDL No:
Product Description
Catalog Number:
AG00IJCI
Chemical Name:
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone,2,9-diheptyl-
CAS Number:
95689-91-1
IUPAC Name:
7,18-diheptyl-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/C38H38N2O4/c1-3-5-7-9-11-21-39-35(41)27-17-13-23-25-15-19-29-34-30(38(44)40(37(29)43)22-12-10-8-6-4-2)20-16-26(32(25)34)24-14-18-28(36(39)42)33(27)31(23)24/h13-20H,3-12,21-22H2,1-2H3
InChI Key:
WXLGICNTPAGZCR-UHFFFAOYSA-N
Properties
Complexity:
966
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
586.283g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
586.732g/mol
Monoisotopic Mass:
586.283g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.5
Literature
| Title | Journal |
|---|---|
| The importance of p-n junction interfaces for efficient small molecule-based organic solar cells. | Physical chemistry chemical physics : PCCP 20120421 |
| STM-induced light emission from thin films of perylene derivatives on the HOPG and Au substrates. | Nanoscale research letters 20110101 |
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