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72389-80-1 | Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,6'-(diethylamino)-2'-[(dimethylphenyl)amino]-3'-methyl-
CAS No: 72389-80-1 Catalog No: AG005HYW MDL No:
Product Description
Catalog Number:
AG005HYW
Chemical Name:
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,6'-(diethylamino)-2'-[(dimethylphenyl)amino]-3'-methyl-
CAS Number:
72389-80-1
Molecular Formula:
C33H32N2O3
Molecular Weight:
504.6188
IUPAC Name:
6'-(diethylamino)-2'-(2,3-dimethylanilino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
InChI:
InChI=1S/C33H32N2O3/c1-6-35(7-2)23-15-16-26-31(18-23)37-30-17-21(4)29(34-28-14-10-11-20(3)22(28)5)19-27(30)33(26)25-13-9-8-12-24(25)32(36)38-33/h8-19,34H,6-7H2,1-5H3
InChI Key:
ONMXOWSAZNYHGE-UHFFFAOYSA-N
SMILES:
CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(c(c1)C)Nc1cccc(c1C)C)CC
EC Number:
276-629-1
Properties
Complexity:
846
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
504.241g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
504.63g/mol
Monoisotopic Mass:
504.241g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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