![CAS 523977-57-3 4,4′-Bis[4-(diphenylamino)styryl]biphenyl molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/523977-57-3.gif)
CAS RN: 523977-57-3
4,4′-Bis[4-(diphenylamino)styryl]biphenyl
Product Availability
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3 package records1 with current stock1 grade group
- Product code: starshine_CAS523977-57-3
- Purity/Analytical Methods: >99.0%
523977-57-3 / N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]aniline
Basic Information
CAS
523977-57-3
Multi CAS
Yes
Molecular Formula
C52H40N2
Molecular Weight
692.900000
Exact Mass
692.319149
InChI
InChI=1S/C52H40N2/c1-5-13-47(14-6-1)53(48-15-7-2-8-16-48)51-37-29-43(30-38-51)23-21-41-25-33-45(34-26-41)46-35-27-42(28-36-46)22-24-44-31-39-52(40-32-44)54(49-17-9-3-10-18-49)50-19-11-4-12-20-50/h1-40H/b23-21+,24-22+
InChIKey
YPJRZWDWVBNDIW-MBALSZOMSA-N
Computed Properties
Structural Parameters
Heavy atom count
54
Aromatic heavy atom count
48
Rotatable bonds
11
H-bond acceptors
2
Molar refractivity
231.98
TPSA
6.48
LogP / Solubility
WLOGP
14.63
MLOGP
12.94
XLogP3
14.6
Consensus LogP
14.06
Log S (ESOL)
-13.29
Class (ESOL)
Insoluble
Log S (Ali)
-15.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.63
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)
3.44
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
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