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17844-67-6

17844-67-6 | Nonacyclo[51.3.1.14,8.111,15.118,22.125,29.132,36.139,43.146,50]tetrahexaconta-1(57),4,6,8(64),11,13,15(63),18,20,22(62),25,27,29(61),32,34,36(60),39,41,43(59),46,48,50(58),53,55-tetracosaene

CAS No: 17844-67-6 Catalog No: AG00261Q MDL No:

Product Description

Catalog Number:
AG00261Q
Chemical Name:
Nonacyclo[51.3.1.14,8.111,15.118,22.125,29.132,36.139,43.146,50]tetrahexaconta-1(57),4,6,8(64),11,13,15(63),18,20,22(62),25,27,29(61),32,34,36(60),39,41,43(59),46,48,50(58),53,55-tetracosaene
CAS Number:
17844-67-6
Molecular Formula:
C64H64
Molecular Weight:
833.1930
IUPAC Name:
nonacyclo[51.3.1.14,8.111,15.118,22.125,29.132,36.139,43.146,50]tetrahexaconta-1(57),4(64),5,7,11(63),12,14,18(62),19,21,25(61),26,28,32,34,36(60),39,41,43(59),46,48,50(58),53,55-tetracosaene
InChI:
InChI=1S/C64H64/c1-9-49-25-27-51-11-2-13-53(42-51)29-31-55-15-4-17-57(44-55)33-35-59-19-6-21-61(46-59)37-39-63-23-8-24-64(48-63)40-38-62-22-7-20-60(47-62)36-34-58-18-5-16-56(45-58)32-30-54-14-3-12-52(43-54)28-26-50(10-1)41-49/h1-24,41-48H,25-40H2
InChI Key:
LCEXRMXMHYAYMO-UHFFFAOYSA-N
SMILES:
c1cc2CCc3cccc(c3)CCc3cccc(c3)CCc3cccc(c3)CCc3cccc(CCc4cc(CCc5cc(CCc6cc(CCc(c1)c2)ccc6)ccc5)ccc4)c3

Properties

Complexity:
896  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
832.501g/mol
Formal Charge:
0
Heavy Atom Count:
64  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
833.216g/mol
Monoisotopic Mass:
832.501g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
17.7  

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