Name: Name:Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-2'-(phenylamino)-
Brand: Angene
SKU: AG002YLI
Rating: 90 (10 reviews)

Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-2'-(phenylamino)-

CAS No.:

29512-46-7

Catalog Number:

AG002YLI

Molecular Formula:

C30H26N2O3

Molecular Weight:

462.5390

Catalog Number:

AG002YLI

Chemical Name:

Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-2'-(phenylamino)-

CAS Number:

29512-46-7

Molecular Formula:

C30H26N2O3

Molecular Weight:

462.5390

MDL Number:

MFCD16621279

IUPAC Name:

2'-anilino-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one

InChI:

InChI=1S/C30H26N2O3/c1-3-32(4-2)22-15-16-25-28(19-22)34-27-17-14-21(31-20-10-6-5-7-11-20)18-26(27)30(25)24-13-9-8-12-23(24)29(33)35-30/h5-19,31H,3-4H2,1-2H3

InChI Key:

SVTBGPICDZDBFU-UHFFFAOYSA-N

SMILES:

CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(cc1)Nc1ccccc1)CC

EC Number:

249-675-5

Complexity:

750

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

462.194g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

462.549g/mol

Monoisotopic Mass:

462.194g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

50.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.5