Name: Name:3',6'-Bis(diethylamino)-2-(4-nitrophenyl)spiro[isoindole-1,9'-xanthene]-3-one
Brand: Angene
SKU: AG002XN9
Rating: 90 (10 reviews)

3',6'-Bis(diethylamino)-2-(4-nitrophenyl)spiro[isoindole-1,9'-xanthene]-3-one

CAS No.:

29199-09-5

Catalog Number:

AG002XN9

Molecular Formula:

C34H34N4O4

Molecular Weight:

562.6582

Catalog Number:

AG002XN9

Chemical Name:

3',6'-Bis(diethylamino)-2-(4-nitrophenyl)spiro[isoindole-1,9'-xanthene]-3-one

CAS Number:

29199-09-5

Molecular Formula:

C34H34N4O4

Molecular Weight:

562.6582

MDL Number:

MFCD08276284

IUPAC Name:

3',6'-bis(diethylamino)-2-(4-nitrophenyl)spiro[isoindole-3,9'-xanthene]-1-one

InChI:

InChI=1S/C34H34N4O4/c1-5-35(6-2)25-17-19-29-31(21-25)42-32-22-26(36(7-3)8-4)18-20-30(32)34(29)28-12-10-9-11-27(28)33(39)37(34)23-13-15-24(16-14-23)38(40)41/h9-22H,5-8H2,1-4H3

InChI Key:

XZXFZILEZWXEND-UHFFFAOYSA-N

SMILES:

CCN(c1ccc2c(c1)Oc1c(C32c2ccccc2C(=O)N3c2ccc(cc2)[N+](=O)[O-])ccc(c1)N(CC)CC)CC

EC Number:

249-501-8

Complexity:

920

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

562.258g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

562.67g/mol

Monoisotopic Mass:

562.258g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.8