Norbormide

C33H25N3O3CAS 991-42-4511.58 g/mol

Open in Covalent MOL file
ONHONHON
AlcoholAlkeneAmideLactam

Properties

Molecular formula
C33H25N3O3
Molar mass
511.58 g/mol
Exact mass
511.1896 Da
Melting point
190–198 °C
logP
4.29Crippen estimate
Polar surface area
92.2 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 650-004-00-7), via PubChem.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
991-42-4
SMILES
C1=CC=C(C=C1)C(=C2C3C=C(C2C4C3C(=O)NC4=O)C(C5=CC=CC=C5)(C6=CC=CC=N6)O)C7=CC=CC=N7
InChIKey
DNTHHIVFNQZZRD-UHFFFAOYSA-N
InChI
InChI=1S/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)
Characterization data

Calculated from the structure, in the form journals print them.

[M + H]+
[M + H]+ Calcd for C33H26N3O3 512.1969
[M + Na]+
[M + Na]+ Calcd for C33H25N3NaO3 534.1788
[M − H]−
[M − H]− Calcd for C33H24N3O3 510.1823
Elemental analysis
Anal. Calcd for C33H25N3O3: C, 77.48; H, 4.93; N, 8.21.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-5-(hydroxyphenyl-2-pyridinylmethyl)-8-(phenyl-2-pyridinylmethylene)-
  • 5-Norbornene-2,3-dicarboximide, 5-(α-hydroxy-α-2-pyridylbenzyl)-7-(α-2-pyridylbenzylidene)-
  • 3a,4,7,7a-Tetrahydro-5-(hydroxyphenyl-2-pyridinylmethyl)-8-(phenyl-2-pyridinylmethylene)-4,7-methano-1H-isoindole-1,3(2H)-dione
  • McN 1025
  • S 6999
  • Compound S 6999
  • 5-[(α-Hydroxy-α-2-pyridyl)benzyl]-7-[α-(2-pyridyl)benzyl]-5-norbornene-2,3-dicarboximide
  • Raticate
  • 5-(α-Hydroxy-α-2-pyridylbenzyl)-7-(α-2-pyridylbenzylidene)-5-norbornene-2,3-dicarboximide
  • Shoxin
  • NSC 101316

Work with Norbormide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Benzoylpyridine91-02-131 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia