Name: Name:3',6'-Bis(diethylamino)-2-phenylspiro[isoindoline-1,9'-xanthen]-3-one
Brand: Angene
SKU: AG003IQ0
Rating: 90 (10 reviews)

3',6'-Bis(diethylamino)-2-phenylspiro[isoindoline-1,9'-xanthen]-3-one

CAS No.:

38660-35-4

Catalog Number:

AG003IQ0

Molecular Formula:

C34H35N3O2

Molecular Weight:

517.6606

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Product Description

Catalog Number:

AG003IQ0

Chemical Name:

3',6'-Bis(diethylamino)-2-phenylspiro[isoindoline-1,9'-xanthen]-3-one

CAS Number:

38660-35-4

Molecular Formula:

C34H35N3O2

Molecular Weight:

517.6606

MDL Number:

MFCD00182788

IUPAC Name:

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

InChI:

InChI=1S/C34H35N3O2/c1-5-35(6-2)25-18-20-29-31(22-25)39-32-23-26(36(7-3)8-4)19-21-30(32)34(29)28-17-13-12-16-27(28)33(38)37(34)24-14-10-9-11-15-24/h9-23H,5-8H2,1-4H3

InChI Key:

IMYNRKANUSOMGU-UHFFFAOYSA-N

SMILES:

CCN(c1ccc2c(c1)Oc1c(C32c2ccccc2C(=O)N3c2ccccc2)ccc(c1)N(CC)CC)CC

EC Number:

254-066-2

NSC Number:

75508

Properties

Complexity:

798

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

517.273g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

517.673g/mol

Monoisotopic Mass:

517.273g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

36A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
3',6'-Bis(diethyl-amino)-2-phenyl-spiro[isoindoline-1,9'-xanthen]-3-one.	Acta crystallographica. Section E, Structure reports online 20090701

Properties