![CAS 1416786-56-5 [1,1′-Biphenyl]-4-amine, 4′,4”’,4””’,4”””’-(1,2-ethenediylidene)tetrakis[N,N-diphenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1416786-56-5.png)
CAS RN: 1416786-56-5
[1,1′-Biphenyl]-4-amine, 4′,4”’,4””’,4”””’-(1,2-ethenediylidene)tetrakis[N,N-diphenyl-
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251208 | 100mg | In stock | Shanghai, Shandong | Inquiry | |
| Batchno.20260121 | 100mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250218 | 1g | In stock | Shenzhen, Tianjin, Wuhan | Inquiry | |
| Batchno.20260610 | 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250529 | 250mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20250701 | 500mg | In stock | Shanghai | Inquiry |
- Product code: LINB887529
1416786-56-5 / N,N-diphenyl-4-[4-[1,2,2-tris[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
Basic Information
CAS
1416786-56-5
Multi CAS
No
Molecular Formula
C98H72N4
Molecular Weight
1305.600000
Exact Mass
1305.579053
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=C(C5=CC=C(C=C5)C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=C(C=C9)C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1
InChI
InChI=1S/C98H72N4/c1-9-25-85(26-10-1)99(86-27-11-2-12-28-86)93-65-57-77(58-66-93)73-41-49-81(50-42-73)97(82-51-43-74(44-52-82)78-59-67-94(68-60-78)100(87-29-13-3-14-30-87)88-31-15-4-16-32-88)98(83-53-45-75(46-54-83)79-61-69-95(70-62-79)101(89-33-17-5-18-34-89)90-35-19-6-20-36-90)84-55-47-76(48-56-84)80-63-71-96(72-64-80)102(91-37-21-7-22-38-91)92-39-23-8-24-40-92/h1-72H
InChIKey
VEBOVVTUHBQNPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
102
Aromatic heavy atom count
96
Rotatable bonds
20
H-bond acceptors
4
Molar refractivity
431.26
TPSA
12.96
LogP / Solubility
WLOGP
27.24
MLOGP
24.1
XLogP3
27.4
Consensus LogP
26.25
Log S (ESOL)
-24.47
Class (ESOL)
Insoluble
Log S (Ali)
-29.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-33.16
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)
8.66
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
10
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