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2097998-59-7 |
CAS No: 2097998-59-7 Catalog No: AG01FL3Y MDL No:
Product Description
Catalog Number:
AG01FL3Y
CAS Number:
2097998-59-7
IUPAC Name:
2-[(2Z)-2-[[20-[(Z)-[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-12,12,24,24-tetrakis(4-hexylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.03,13.04,11.06,10.016,23.018,22]tetracosa-1(15),2,4(11),6(10),7,13,16(23),18(22),19-nonaen-8-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile
InChI:
InChI=1S/C94H78F4N4O2S4/c1-5-9-13-17-21-55-25-33-61(34-26-55)93(62-35-27-56(28-36-62)22-18-14-10-6-2)75-45-72-76(46-71(75)89-85(93)91-81(107-89)43-65(105-91)41-73-83(59(51-99)52-100)67-47-77(95)79(97)49-69(67)87(73)103)94(63-37-29-57(30-38-63)23-19-15-11-7-3,64-39-31-58(32-40-64)24-20-16-12-8-4)86-90(72)108-82-44-66(106-92(82)86)42-74-84(60(53-101)54-102)68-48-78(96)80(98)50-70(68)88(74)104/h25-50H,5-24H2,1-4H3/b73-41-,74-42-
InChI Key:
JOZQXSUYCMNTCH-ODDCUFEPSA-N
Properties
Complexity:
3210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
1499.498g/mol
Formal Charge:
0
Heavy Atom Count:
108
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1499.918g/mol
Monoisotopic Mass:
1498.494g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
242A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
27.9
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