Crystal violet lactone

C26H29N3O2CAS 1552-42-7415.54 g/mol

NNOON
EsterLactoneTertiary amine

Properties

Molecular formula
C26H29N3O2
Molar mass
415.54 g/mol
Exact mass
415.2260 Da
Melting point
176–179 °C
logP
4.35Crippen estimate
Polar surface area
36.0 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
5

Identifiers

CAS number
1552-42-7
SMILES
CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cc(N(C)C)ccc32)cc1
InChIKey
IPAJDLMMTVZVPP-UHFFFAOYSA-N
InChI
InChI=1S/C26H29N3O2/c1-27(2)20-11-7-18(8-12-20)26(19-9-13-21(14-10-19)28(3)4)24-16-15-22(29(5)6)17-23(24)25(30)31-26/h7-17H,1-6H3

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Names and synonyms

17 names · show all
  • 1(3H)-Isobenzofuranone, 6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-
  • Phthalide, 6-(dimethylamino)-3,3-bis[p-(dimethylamino)phenyl]-
  • 6-(Dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-1(3H)-isobenzofuranone
  • 3,3-Bis[p-(dimethylamino)phenyl]-6-(dimethylamino)phthalide
  • 3,3-Bis[4-(dimethylamino)phenyl]-6-(dimethylamino)phthalide
  • 3,3-Bis[4-(dimethylamino)phenyl]-6-(dimethylamino)-1,3-dihydroisobenzofuran-1-one
  • Copikem I
  • Pergascript blue I 2R
  • CVL
  • Color former CVL
  • NSC 32991
  • NSC 3562
  • Copikem 1 blue
  • 6-Dimethylamino-3,3-bis(4-dimethylaminophenyl)-3H-isobenzofuran-1-one
  • CVL-K
  • Chameleon blue 3
  • LCV-L

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Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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