![CAS 185690-41-9 4,4′,4”-Tris[2-naphthyl(phenyl)amino]triphenylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3233-jpgcontextbwfzdgvyfhjvb3r8nda3ntj8aw1hz2uvanblz3xonjuvadbllzg5mzi2njy1mdcyotqvvdmymzmuanbnfgizm2eyowjlzdewodq1mzvmmmq5ndcxzdezy2uxyte4ztqynde1zta2y2m4yjnmyjm0ndzlyzvlzja3y2yxzmi.jpeg)
CAS RN: 185690-41-9
4,4′,4”-Tris[2-naphthyl(phenyl)amino]triphenylamine
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-085967
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
185690-41-9 / 4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
Basic Information
CAS
185690-41-9
Multi CAS
No
Molecular Formula
C66H48N4
Molecular Weight
897.100000
Exact Mass
896.387898
SMILES
C1=CC=C(C=C1)N(C2=CC=C(C=C2)N(C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC6=CC=CC=C6C=C5)C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC1=CC=CC=C1C=C9)C1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C66H48N4/c1-4-22-55(23-5-1)68(64-31-28-49-16-10-13-19-52(49)46-64)61-40-34-58(35-41-61)67(59-36-42-62(43-37-59)69(56-24-6-2-7-25-56)65-32-29-50-17-11-14-20-53(50)47-65)60-38-44-63(45-39-60)70(57-26-8-3-9-27-57)66-33-30-51-18-12-15-21-54(51)48-66/h1-48H
InChIKey
KDOQMLIRFUVJNT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
70
Aromatic heavy atom count
66
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
297.69
TPSA
12.96
LogP / Solubility
WLOGP
19.03
MLOGP
16.83
XLogP3
18.6
Consensus LogP
18.15
Log S (ESOL)
-17.29
Class (ESOL)
Insoluble
Log S (Ali)
-20.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-22.72
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)
5.32
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8.5
Safety & Transport
GHS Hazard Statements
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501
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![CAS 167218-46-4 N,N’-Diphenyl-N,N’-bis[4′-(diphenylamino)biphenyl-4-yl]benzidine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4863-jpgcontextbwfzdgvyfhjvb3r8mziznzh8aw1hz2uvanblz3xonmuvadkwlzg5mzaznduxnty2mzgvrdq4njmuanbnfge2zjjkm2e4otniymvhogfmoda4ngq3ndnmzwu0ndnlymfjmzi5mtm2zjc1ntdhndg3oguzowfizjjizjbmmjg.jpeg)
