chempirical

9-(4-Chloro-6-phenyl-1,3,5-triazin-2-yl)-9H-carbazole

C21H13ClN4CAS 1268244-56-9356.81 g/mol

Open in Covalent MOL file
NNNClN
Aryl halide

Properties

Molecular formula
C21H13ClN4
Molar mass
356.81 g/mol
Exact mass
356.0829 Da
logP
5.29Crippen estimate
Polar surface area
43.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
1268244-56-9
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)N3C4=CC=CC=C4C5=CC=CC=C53
InChIKey
JIHNZNBRECXPJB-UHFFFAOYSA-N
InChI
InChI=1S/C21H13ClN4/c22-20-23-19(14-8-2-1-3-9-14)24-21(25-20)26-17-12-6-4-10-15(17)16-11-5-7-13-18(16)26/h1-13H

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Work with 9-(4-Chloro-6-phenyl-1,3,5-triazin-2-yl)-9H-carbazole

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

2,4-Dichloro-6-phenyl-1,3,5-triazine1700-02-358 % similar 2-Chloro-4,6-diphenyl-1,3,5-triazine3842-55-558 % similar 2-(4-Biphenylyl)-4,6-dichloro-1,3,5-triazine10202-45-655 % similar 9-([1,1'-Biphenyl]-3-yl)-9H-carbazole1221237-87-145 % similar 9,9'-(Pyridine-2,6-diyldi(3,1-phenylene))di(9H-carbazole)1013405-24-744 % similar 4-Chloro-2-phenylquinazoline6484-25-944 % similar 2,4,6-Triphenyl-1,3,5-triazine493-77-642 % similar Fenclorim3740-92-942 % similar

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

Elsewhere

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