chempirical

Hexaazatriphenylenehexacabonitrile

C18N12CAS 105598-27-4384.28 g/mol

Open in Covalent MOL file
NNNNNNNNNNNN
Nitrile

Properties

Molecular formula
C18N12
Molar mass
384.28 g/mol
Exact mass
384.0369 Da
logP
0.75Crippen estimate
Polar surface area
220.1 Ų
H-bond donors / acceptors
0 / 12
Rotatable bonds
0

Identifiers

CAS number
105598-27-4
SMILES
C(#N)C1=C(N=C2C(=N1)C3=NC(=C(N=C3C4=NC(=C(N=C24)C#N)C#N)C#N)C#N)C#N
InChIKey
DKHNGUNXLDCATP-UHFFFAOYSA-N
InChI
InChI=1S/C18N12/c19-1-7-8(2-20)26-14-13(25-7)15-17(29-10(4-22)9(3-21)27-15)18-16(14)28-11(5-23)12(6-24)30-18

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Work with Hexaazatriphenylenehexacabonitrile

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

4,5-Dicyanoimidazole1122-28-736 % similar 2,6-Pyridinedicarbonitrile2893-33-635 % similar 3,5-Dichloro-2-pyrazinecarbonitrile313339-92-334 % similar 6-Fluoro-3,4-dihydro-3-oxo-2-pyrazinecarbonitrile356783-31-833 % similar 4-Amino-5-cyanoimidazole5098-11-333 % similar 3-Amino-4-cyanofurazan156463-85-332 % similar 1H-Indazole-3-carbonitrile50264-88-532 % similar 1-Isoquinolinecarbonitrile1198-30-731 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook