![CAS 119586-44-6 4,4′-Bis[4-(di-p-tolylamino)styryl]biphenyl molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b4682-jpgcontextbwfzdgvyfhjvb3r8mjc4nth8aw1hz2uvanblz3xomjmvadvklzg5mjkwnjq1mtc2njivqjq2odiuanbnfdhiytjmyjbjotewmzk3y2rjymvkmwvlyjezmdg1mmewn2nlzmnlnziyy2u2ntlmmtg5ztrhytm1nwvindfjnji.jpeg)
CAS RN: 119586-44-6
4,4′-Bis[4-(di-p-tolylamino)styryl]biphenyl
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: ICTB4682
- Purity/Analytical Methods: >98.0%(HPLC)
119586-44-6 / 4-methyl-N-[4-[(E)-2-[4-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
4,4'-Bis[4-(di-p-tolylamino)styryl]biphenyl | 4,4'-Bis(4-(di-p-tolylamino)styryl)biphenyl | RefChem:506558
Basic Information
CAS
119586-44-6
Multi CAS
Yes
Molecular Formula
C56H48N2
Molecular Weight
749.000000
Exact Mass
748.381750
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
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+
InChIKey
OSQXTXTYKAEHQV-WXUKJITCSA-N
Synonyms
4,4'-Bis[4-(di-p-tolylamino)styryl]biphenyl
4,4'-Bis(4-(di-p-tolylamino)styryl)biphenyl
RefChem:506558
808-006-2
DPAVBi
Computed Properties
Structural Parameters
Heavy atom count
58
Aromatic heavy atom count
48
Fraction Csp3
0.07
Rotatable bonds
11
H-bond acceptors
2
Molar refractivity
250.93
TPSA
6.48
LogP / Solubility
WLOGP
15.87
MLOGP
14.03
XLogP3
16
Consensus LogP
15.3
Log S (ESOL)
-14.37
Class (ESOL)
Insoluble
Log S (Ali)
-17.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.02
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
3.98
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
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