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50293-10-2 | 1(3H)-Isobenzofuranone, 3,3-bis(1-octyl-2-phenyl-1H-indol-3-yl)-
CAS No: 50293-10-2 Catalog No: AG006V5Q MDL No:
Product Description
Catalog Number:
AG006V5Q
Chemical Name:
1(3H)-Isobenzofuranone, 3,3-bis(1-octyl-2-phenyl-1H-indol-3-yl)-
CAS Number:
50293-10-2
Molecular Formula:
C52H56N2O2
Molecular Weight:
741.0132
IUPAC Name:
3,3-bis(1-octyl-2-phenylindol-3-yl)-2-benzofuran-1-one
InChI:
InChI=1S/C52H56N2O2/c1-3-5-7-9-11-25-37-53-45-35-23-20-32-42(45)47(49(53)39-27-15-13-16-28-39)52(44-34-22-19-31-41(44)51(55)56-52)48-43-33-21-24-36-46(43)54(38-26-12-10-8-6-4-2)50(48)40-29-17-14-18-30-40/h13-24,27-36H,3-12,25-26,37-38H2,1-2H3
InChI Key:
FLMKPEOZXWVQGN-UHFFFAOYSA-N
SMILES:
CCCCCCCCn1c(c2ccccc2)c(c2c1cccc2)C1(OC(=O)c2c1cccc2)c1c(c2ccccc2)n(c2c1cccc2)CCCCCCCC
Properties
Complexity:
1120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
740.434g/mol
Formal Charge:
0
Heavy Atom Count:
56
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
741.032g/mol
Monoisotopic Mass:
740.434g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
36.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.7
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