CAS RN: 148044-14-8
4,4′,4”,4”’-(ethene-1,1,2,2-tetrayl)tetrakis(N,N-diphenylaniline)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250421 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS148044-14-8
- Purity/Analytical Methods: >99.0%
148044-14-8 / N,N-diphenyl-4-[1,2,2-tris[4-(N-phenylanilino)phenyl]ethenyl]aniline
Basic Information
CAS
148044-14-8
Multi CAS
No
Molecular Formula
C74H56N4
Molecular Weight
1001.300000
Exact Mass
1000.450498
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C(=C(C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1
InChI
InChI=1S/C74H56N4/c1-9-25-61(26-10-1)75(62-27-11-2-12-28-62)69-49-41-57(42-50-69)73(58-43-51-70(52-44-58)76(63-29-13-3-14-30-63)64-31-15-4-16-32-64)74(59-45-53-71(54-46-59)77(65-33-17-5-18-34-65)66-35-19-6-20-36-66)60-47-55-72(56-48-60)78(67-37-21-7-22-38-67)68-39-23-8-24-40-68/h1-56H
InChIKey
HATRMKIPFKLNMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
78
Aromatic heavy atom count
72
Rotatable bonds
16
H-bond acceptors
4
Molar refractivity
329.52
TPSA
12.96
LogP / Solubility
WLOGP
20.57
MLOGP
18.2
XLogP3
20.9
Consensus LogP
19.89
Log S (ESOL)
-18.64
Class (ESOL)
Insoluble
Log S (Ali)
-22.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-25.16
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)
5.78
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
8.5
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