4′′-Pentyl-4-cyano-p-terphenyl

C₂₄H₂₃NCAS 54211-46-0325.45 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₄H₂₃N
Molar mass: 325.45 g/mol
Exact mass: 325.1830 Da
logP: 6.63Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 6

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled16.7% of notifiers
H302 Harmful if swallowed83.3% of notifiers
H312 Harmful in contact with skin83.3% of notifiers
H315 Causes skin irritation16.7% of notifiers
H319 Causes serious eye irritation16.7% of notifiers
H332 Harmful if inhaled83.3% of notifiers
H413 May cause long lasting harmful effects to aquatic life16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

54211-46-0

SMILES

CCCCCc1ccc(-c2ccc(-c3ccc(C#N)cc3)cc2)cc1

InChIKey

AITQOXOBSMXBRV-UHFFFAOYSA-N

InChI

InChI=1S/C24H23N/c1-2-3-4-5-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(18-25)9-13-22/h6-17H,2-5H2,1H3

Weigh it out

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

Names and synonyms

16 names · show all

[1,1′:4′,1′′-Terphenyl]-4-carbonitrile, 4′′-pentyl-
5CT
4′′-Pentyl[1,1′:4′,1′′-terphenyl]-4-carbonitrile
4-Cyano-4′′-pentylterphenyl
4′′-Pentyl-p-terphenyl-4-carbonitrile
4-(p-Pentylphenyl)-4′-cyanobiphenyl
T 15
p-Pentyl-p′-cyanoterphenyl
4-Pentyl-4′′-cyano-p-terphenyl
4-Cyano-4′′-pentyl-p-terphenyl
4-Cyano-4′-pentyl-p-terphenyl
4-Pentyl-4′-cyano-p-terphenyl
5TP
4-Cyano-4′′-n-pentyl-1,1′,1′′-terphenyl
1-Pentyl[4,1′:4′,1′′]terphenyl-4′′-carbonitrile
5-BBB-C

Work with 4′′-Pentyl-4-cyano-p-terphenyl

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-Cyano-4′-pentylbiphenyl40817-08-1100 % similar 6CB41122-70-796 % similar 4′-Heptyl-4-cyanobiphenyl41122-71-896 % similar 4'-Octyl-4-cyanobiphenyl52709-84-996 % similar 4′-Butyl-4-cyanobiphenyl52709-83-889 % similar 3CB58743-76-379 % similar 4-Butylbenzonitrile20651-73-479 % similar 4-Ethyl-4′-cyanobiphenyl58743-75-265 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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