2,3,4,5-Tetraphenylthiophene

C₂₈H₂₀SCAS 1884-68-0388.53 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₈H₂₀S
Molar mass: 388.53 g/mol
Exact mass: 388.1286 Da
Melting point: 164 °C
logP: 8.42Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Hazards

H413 May cause long lasting harmful effects to aquatic life100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P501

Identifiers

CAS number

1884-68-0

SMILES

c1ccc(-c2sc(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1

InChIKey

MQFBWJOMLIHUDY-UHFFFAOYSA-N

InChI

InChI=1S/C28H20S/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)29-27(25)23-17-9-3-10-18-23/h1-20H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Thiophene, 2,3,4,5-tetraphenyl-
Thiophene, tetraphenyl-
Thionessal
Tetraphenylthiophene
NSC 56485

Work with 2,3,4,5-Tetraphenylthiophene

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

Hexaphenylbenzene992-04-156 % similar Azulene275-51-450 % similar 2,3,4,5,6-Pentachlorobiphenyl25429-29-248 % similar 9,10-Diphenylanthracene1499-10-148 % similar 9,10-Diphenylphenanthrene602-15-345 % similar 1,2,3,4-Tetraphenylnaphthalene751-38-245 % similar Biphenyl92-52-444 % similar Rubrene517-51-143 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook