chempirical

2,9-Bis[P-(formyl)phenyl]-1,10-phenanthroline

C26H16N2O2CAS 120085-99-6388.43 g/mol

Open in Covalent MOL file
NONO
Aldehyde

Properties

Molecular formula
C26H16N2O2
Molar mass
388.43 g/mol
Exact mass
388.1212 Da
logP
5.74Crippen estimate
Polar surface area
59.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
120085-99-6
SMILES
C1=CC2=C(C3=C1C=CC(=N3)C4=CC=C(C=C4)C=O)N=C(C=C2)C5=CC=C(C=C5)C=O
InChIKey
UGTIDCSATIABNJ-UHFFFAOYSA-N
InChI
InChI=1S/C26H16N2O2/c29-15-17-1-5-19(6-2-17)23-13-11-21-9-10-22-12-14-24(28-26(22)25(21)27-23)20-7-3-18(16-30)4-8-20/h1-16H

Weigh it out

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

Names and synonyms

1 names
  • 4,4'-(1,10-Phenanthroline-2,9-diyl)dibenzaldehyde

Work with 2,9-Bis[P-(formyl)phenyl]-1,10-phenanthroline

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

4,4′,4′′-(1,3,5-Triazine-2,4,6-triyl)tris[benzaldehyde]443922-06-359 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-852 % similar 4-(2-Pyridinyl)benzaldehyde127406-56-849 % similar 1,3,5-Tris(4-formylphenyl)benzene118688-53-247 % similar [1,1′-Biphenyl]-4-carboxaldehyde3218-36-845 % similar 4-(Pyridin-3-yl)benzaldehyde127406-55-741 % similar 4′-(Methylthio)[1,1′-biphenyl]-4-carboxaldehyde221018-02-639 % similar 3′,5′-Dichloro[1,1′-biphenyl]-4-carboxaldehyde221018-04-839 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook