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50441-88-8 | 1(3H)-Isobenzofuranone, 3,3-bis(2-methyl-1-octadecyl-1H-indol-3-yl)-
CAS No: 50441-88-8 Catalog No: AG006Z8G MDL No:
Product Description
Catalog Number:
AG006Z8G
Chemical Name:
1(3H)-Isobenzofuranone, 3,3-bis(2-methyl-1-octadecyl-1H-indol-3-yl)-
CAS Number:
50441-88-8
Molecular Formula:
C62H92N2O2
Molecular Weight:
897.4061
IUPAC Name:
3,3-bis(2-methyl-1-octadecylindol-3-yl)-2-benzofuran-1-one
InChI:
InChI=1S/C62H92N2O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41-49-63-51(3)59(54-44-36-39-47-57(54)63)62(56-46-38-35-43-53(56)61(65)66-62)60-52(4)64(58-48-40-37-45-55(58)60)50-42-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h35-40,43-48H,5-34,41-42,49-50H2,1-4H3
InChI Key:
QKRKAYZCHRFWBH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCn1c(C)c(c2c1cccc2)C1(OC(=O)c2c1cccc2)c1c(C)n(c2c1cccc2)CCCCCCCCCCCCCCCCCC
Properties
Complexity:
1190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
896.716g/mol
Formal Charge:
0
Heavy Atom Count:
66
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
897.43g/mol
Monoisotopic Mass:
896.716g/mol
Rotatable Bond Count:
36
Topological Polar Surface Area:
36.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
23
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