chempirical

9,9'-(Pyridine-2,6-diyldi(3,1-phenylene))di(9H-carbazole)

C41H27N3CAS 1013405-24-7561.69 g/mol

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Properties

Molecular formula
C41H27N3
Molar mass
561.69 g/mol
Exact mass
561.2205 Da
logP
10.61Crippen estimate
Polar surface area
22.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Identifiers

CAS number
1013405-24-7
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=CC(=C4)C5=NC(=CC=C5)C6=CC(=CC=C6)N7C8=CC=CC=C8C9=CC=CC=C97
InChIKey
UFWDOFZYKRDHPB-UHFFFAOYSA-N
InChI
InChI=1S/C41H27N3/c1-5-22-38-32(16-1)33-17-2-6-23-39(33)43(38)30-14-9-12-28(26-30)36-20-11-21-37(42-36)29-13-10-15-31(27-29)44-40-24-7-3-18-34(40)35-19-4-8-25-41(35)44/h1-27H

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Names and synonyms

1 names
  • 2,6-Bis(3-(9H-carbazol-9-yl)phenyl)pyridine

Work with 9,9'-(Pyridine-2,6-diyldi(3,1-phenylene))di(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

9-([1,1'-Biphenyl]-3-yl)-9H-carbazole1221237-87-169 % similar 9-Phenylcarbazole1150-62-552 % similar 2,6-Diphenylpyridine3558-69-845 % similar 9,3′:6′,9′′-Ter-9H-carbazole606129-90-245 % similar 9-(4-Chloro-6-phenyl-1,3,5-triazin-2-yl)-9H-carbazole1268244-56-944 % similar 3-Bromo-9-phenylcarbazole1153-85-143 % similar 9-(1,1-Bipheny)-4-yl-3-(4-bromophenyl)carbazole1028648-25-041 % similar 9-Phenyl-9H,9'H-[3,3']bicarbazolyl1060735-14-940 % similar

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

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