Name: Name:2'-anilino-6'-[ethyl(p-tolyl)amino]-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
Brand: Angene
SKU: AG00E95G
Rating: 90 (10 reviews)

2'-anilino-6'-[ethyl(p-tolyl)amino]-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one

CAS No.:

59129-79-2

Catalog Number:

AG00E95G

Molecular Formula:

C36H30N2O3

Molecular Weight:

538.6350

Catalog Number:

AG00E95G

Chemical Name:

2'-anilino-6'-[ethyl(p-tolyl)amino]-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one

CAS Number:

59129-79-2

Molecular Formula:

C36H30N2O3

Molecular Weight:

538.6350

MDL Number:

MFCD27977254

IUPAC Name:

2'-anilino-6'-(N-ethyl-4-methylanilino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one

InChI:

InChI=1S/C36H30N2O3/c1-4-38(26-16-14-23(2)15-17-26)27-18-19-30-34(21-27)40-33-20-24(3)32(37-25-10-6-5-7-11-25)22-31(33)36(30)29-13-9-8-12-28(29)35(39)41-36/h5-22,37H,4H2,1-3H3

InChI Key:

IXHBSOXJLNEOPY-UHFFFAOYSA-N

SMILES:

CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(c(c1)C)Nc1ccccc1)c1ccc(cc1)C

EC Number:

261-618-6

Complexity:

913

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

538.226g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

538.647g/mol

Monoisotopic Mass:

538.226g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

50.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

8.5