![CAS 209980-53-0 N,N’-Bis[4-(diphenylamino)phenyl]-N,N’-diphenylbenzidine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5117-jpgcontextbwfzdgvyfhjvb3r8mzgymdh8aw1hz2uvanblz3xoowevaduzlzg5mjkxntm3nzc2otqvqjuxmtcuanbnfgnhmdiwmjixntgyyjexmte4mmm4mmjintiwyzvjmjawyzkyyzmxowvkmjhhzdrindc3nwzhmjm2nmnlowy5ogm.jpeg)
CAS RN: 209980-53-0
N,N’-Bis[4-(diphenylamino)phenyl]-N,N’-diphenylbenzidine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260527 | 100mg | In stock | Shanghai | Inquiry |
- Product code: SSC-099845
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
209980-53-0 / 1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
Basic Information
CAS
209980-53-0
Multi CAS
No
Molecular Formula
C60H46N4
Molecular Weight
823.000000
Exact Mass
822.372247
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=C(C=C8)N(C9=CC=CC=C9)C1=CC=CC=C1
InChI
InChI=1S/C60H46N4/c1-7-19-49(20-8-1)61(50-21-9-2-10-22-50)57-39-43-59(44-40-57)63(53-27-15-5-16-28-53)55-35-31-47(32-36-55)48-33-37-56(38-34-48)64(54-29-17-6-18-30-54)60-45-41-58(42-46-60)62(51-23-11-3-12-24-51)52-25-13-4-14-26-52/h1-46H
InChIKey
XOYZGLGJSAZOAG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
64
Aromatic heavy atom count
60
Rotatable bonds
13
H-bond acceptors
4
Molar refractivity
270.61
TPSA
12.96
LogP / Solubility
WLOGP
17.23
MLOGP
15.24
XLogP3
16.5
Consensus LogP
16.32
Log S (ESOL)
-15.64
Class (ESOL)
Insoluble
Log S (Ali)
-18.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-20.87
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)
4.49
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5
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