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34372-72-0 | 2'-(Dibenzylamino)-6'-(diethylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one
CAS No: 34372-72-0 Catalog No: AG003B2H MDL No:MFCD00100991
Product Description
Catalog Number:
AG003B2H
Chemical Name:
2'-(Dibenzylamino)-6'-(diethylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one
CAS Number:
34372-72-0
Molecular Formula:
C38H34N2O3
Molecular Weight:
566.6882
MDL Number:
MFCD00100991
IUPAC Name:
2'-(dibenzylamino)-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
InChI:
InChI=1S/C38H34N2O3/c1-3-39(4-2)30-19-21-33-36(24-30)42-35-22-20-29(23-34(35)38(33)32-18-12-11-17-31(32)37(41)43-38)40(25-27-13-7-5-8-14-27)26-28-15-9-6-10-16-28/h5-24H,3-4,25-26H2,1-2H3
InChI Key:
DXYZIGZCEVJFIX-UHFFFAOYSA-N
SMILES:
CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(cc1)N(Cc1ccccc1)Cc1ccccc1)CC
EC Number:
251-971-4
Properties
Complexity:
906
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
566.257g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
566.701g/mol
Monoisotopic Mass:
566.257g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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