8,18-Dichloro-5,15-diethyl-5,15-dihydrodiindolo[3,2-B:3′,2′-M]triphenodioxazine

C₃₄H₂₂Cl₂N₄O₂CAS 6358-30-1589.48 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₃₄H₂₂Cl₂N₄O₂
Molar mass: 589.48 g/mol
Exact mass: 588.1120 Da
logP: 9.36Crippen estimate
Polar surface area: 53.0 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Identifiers

CAS number

6358-30-1

SMILES

CCn1c2ccccc2c2cc3c(cc21)Oc1c(Cl)c2c(c(Cl)c1=N3)Oc1cc3c(cc1N=2)c1ccccc1n3CC

InChIKey

CGLVZFOCZLHKOH-UHFFFAOYSA-N

InChI

InChI=1S/C34H22Cl2N4O2/c1-3-39-23-11-7-5-9-17(23)19-13-21-27(15-25(19)39)41-33-29(35)32-34(30(36)31(33)37-21)42-28-16-26-20(14-22(28)38-32)18-10-6-8-12-24(18)40(26)4-2/h5-16H,3-4H2,1-2H3

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Names and synonyms

1 names

Diindolo[3,2-b:3′,2′-m]triphenodioxazine, 8,18-dichloro-5,15-diethyl-5,15-dihydro-

Work with 8,18-Dichloro-5,15-diethyl-5,15-dihydrodiindolo[3,2-B:3′,2′-M]triphenodioxazine

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-Ethylcarbazole86-28-245 % similar 3-Amino-9-ethylcarbazole132-32-142 % similar 9-Ethylcarbazole-3-carbaldehyde diphenylhydrazone73276-70-740 % similar 9-Ethyl-3-carbazolecarboxaldehyde7570-45-840 % similar 9-Ethyl-3-nitro-9H-carbazole86-20-438 % similar

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

Elsewhere

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