4,4',4''-Tris(carbazol-9-yl)-triphenylamine

C₅₄H₃₆N₄CAS 139092-78-7740.91 g/mol

Open in Covalent MOL file

Tertiary amine

Properties

Molecular formula: C₅₄H₃₆N₄
Molar mass: 740.91 g/mol
Exact mass: 740.2940 Da
logP: 14.45Crippen estimate
Polar surface area: 18.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

139092-78-7

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=C(C=C4)N(C5=CC=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C9=CC=C(C=C9)N1C2=CC=CC=C2C2=CC=CC=C21

InChIKey

AWXGSYPUMWKTBR-UHFFFAOYSA-N

InChI

InChI=1S/C54H36N4/c1-7-19-49-43(13-1)44-14-2-8-20-50(44)56(49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-51-21-9-3-15-45(51)46-16-4-10-22-52(46)57)39-29-35-42(36-30-39)58-53-23-11-5-17-47(53)48-18-6-12-24-54(48)58/h1-36H

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Names and synonyms

1 names

Tris(4-carbazoyl-9-ylphenyl)amine

Work with 4,4',4''-Tris(carbazol-9-yl)-triphenylamine

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'-Bis(N-carbazolyl)-1,1'-biphenyl58328-31-765 % similar N4,N4'-Diphenyl-N4,N4'-bis(9-phenyl-9H-carbazol-3-yl)-[1,1'-biphenyl]-4,4'-diamine887402-92-865 % similar 9-Phenylcarbazole1150-62-564 % similar 9-(4-Phenylphenyl)carbazole6299-16-761 % similar 9-(4-Bromophenyl)carbazole57102-42-859 % similar 9-(4-Iodophenyl)carbazole57103-15-859 % similar 1,3,5-Tri(9-carbazolyl)benzene148044-07-958 % similar 9,9'-(1,3-Phenylene)bis-9H-carbazole550378-78-454 % similar

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

Elsewhere

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