4,4'-Bis(4-(di-p-tolylamino)styryl)biphenyl

C₅₆H₄₈N₂CAS 119586-44-6749.01 g/mol

Open in Covalent MOL file

Alkene Tertiary amine

Properties

Molecular formula: C₅₆H₄₈N₂
Molar mass: 749.01 g/mol
Exact mass: 748.3817 Da
logP: 15.87Crippen estimate
Polar surface area: 6.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 11
Double bonds: E, EE/Z, in SMILES order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

119586-44-6

SMILES

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)/C=C/C3=CC=C(C=C3)C4=CC=C(C=C4)/C=C/C5=CC=C(C=C5)N(C6=CC=C(C=C6)C)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C

InChIKey

OSQXTXTYKAEHQV-WXUKJITCSA-N

InChI

InChI=1S/C56H48N2/c1-41-5-29-51(30-6-41)57(52-31-7-42(2)8-32-52)55-37-21-47(22-38-55)15-13-45-17-25-49(26-18-45)50-27-19-46(20-28-50)14-16-48-23-39-56(40-24-48)58(53-33-9-43(3)10-34-53)54-35-11-44(4)12-36-54/h5-40H,1-4H3/b15-13+,16-14+

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Names and synonyms

1 names

4,4'-Bis[4-(di-P-tolylamino)styryl]biphenyl

Work with 4,4'-Bis(4-(di-p-tolylamino)styryl)biphenyl

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

N,N,N′,N′-Tetra(4-methylphenyl)-1,1′-biphenyl-4,4′-diamine76185-65-475 % similar N,N'-Diphenyl-N,N'-di-P-tolyl- benzidine20441-06-964 % similar Tri-p-tolylamine1159-53-163 % similar 4-(Bis(p-tolyl)amino)benzaldehyde42906-19-460 % similar 4-Methyl-N-(4-methylphenyl)-N-phenylbenzenamine20440-95-354 % similar 4-Methyltriphenylamine4316-53-454 % similar 4'-Methylbiphenyl-4-carbaldehyde36393-42-750 % similar 4-Bromo-4',4''-dimethyltriphenylamine58047-42-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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