2-(8-Chlorodibenzo[b,d]furan-1-yl)-4,6-diphenyl-1,3,5-triazine

C₂₇H₁₆ClN₃OCAS 2173554-85-1433.90 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₇H₁₆ClN₃O
Molar mass: 433.90 g/mol
Exact mass: 433.0982 Da
logP: 7.43Crippen estimate
Polar surface area: 51.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

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

2173554-85-1

SMILES

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=C4C(=CC=C3)OC5=C4C=C(C=C5)Cl)C6=CC=CC=C6

InChIKey

KBYZBOKBZLTSPI-UHFFFAOYSA-N

InChI

InChI=1S/C27H16ClN3O/c28-19-14-15-22-21(16-19)24-20(12-7-13-23(24)32-22)27-30-25(17-8-3-1-4-9-17)29-26(31-27)18-10-5-2-6-11-18/h1-16H

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Names and synonyms

1 names

2-(8-Chloro-1-dibenzofuranyl)-4,6-diphenyl-1,3,5-triazine

Work with 2-(8-Chlorodibenzo[b,d]furan-1-yl)-4,6-diphenyl-1,3,5-triazine

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

1,3,5-Triazine,2-chloro-4-(1-dibenzofuranyl)-6-phenyl-1883265-32-470 % similar 1-Bromo-8-chlorodibenzo[b,d]furan2173554-83-952 % similar 2-Chloro-4-(dibenzo[B,D]furan-3-yl)-6-phenyl-1,3,5-triazine2142681-84-150 % similar 2-(3'-Chlorobiphenyl-3-yl)-4,6-diphenyl-1,3,5-triazine1443049-83-947 % similar 2-Chloro-4-(3-chlorophenyl)-6-phenyl-1,3,5-triazine2125473-29-045 % similar 2-(3-Bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine1073062-42-640 % similar 1-Bromo-7-chlorodibenzo[b,d]furan2173555-52-540 % similar 2-Chloro-4,6-diphenyl-1,3,5-triazine3842-55-539 % similar

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

Elsewhere

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