![CAS 952431-34-4 N,N,N’,N’-Tetra([1,1′-biphenyl]-4-yl)[1,1′:4′,1”-terphenyl]-4,4”-diamine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3656-jpgcontextbwfzdgvyfhjvb3r8mzy5mdl8aw1hz2uvanblz3xonjivadi0lzg5mzi3mtg0mte4mdyvvdm2ntyuanbnfdezmwvlzdi5mge2nzy3mtlhztixmjkyngi5mwnjotawntmxmgrhmtdhmzzhyzu4mjc0zjqyngrmzwjmnddjyjy.jpeg)
CAS RN: 952431-34-4
N,N,N’,N’-Tetra([1,1′-biphenyl]-4-yl)[1,1′:4′,1”-terphenyl]-4,4”-diamine
- Product code: SSC-210550
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: ≥97%
- 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 | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
952431-34-4 / 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
Basic Information
CAS
952431-34-4
Multi CAS
No
Molecular Formula
C66H48N2
Molecular Weight
869.100000
Exact Mass
868.381750
InChI
InChI=1S/C66H48N2/c1-5-13-49(14-6-1)55-25-37-61(38-26-55)67(62-39-27-56(28-40-62)50-15-7-2-8-16-50)65-45-33-59(34-46-65)53-21-23-54(24-22-53)60-35-47-66(48-36-60)68(63-41-29-57(30-42-63)51-17-9-3-10-18-51)64-43-31-58(32-44-64)52-19-11-4-12-20-52/h1-48H
InChIKey
FRJIRSGTDSDPTM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
68
Aromatic heavy atom count
66
Rotatable bonds
12
H-bond acceptors
2
Molar refractivity
288.42
TPSA
6.48
LogP / Solubility
WLOGP
18.63
MLOGP
16.47
XLogP3
18.2
Consensus LogP
17.77
Log S (ESOL)
-16.89
Class (ESOL)
Insoluble
Log S (Ali)
-20.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-22.21
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)
5.2
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8
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![CAS 58473-78-2 1,1-Bis[4-[N,N-di(p-tolyl)amino]phenyl]cyclohexane (purified) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b3146-jpgcontextbwfzdgvyfhjvb3r8mzuzmdf8aw1hz2uvanblz3xomgyvadewlzg5mjg5mtc1mja0mtqvqjmxndyuanbnfdu2odg4ymzjm2iyztfizjg0ytfmm2zindrkm2y1ogfjogeynzi5mgezytrjotrlztqzogjlzdllngq4odazztu.jpeg)
![CAS 145898-89-1 N,N,N’,N’-Tetraphenyl[1,1′:4′,1”:4”,1”’-quaterphenyl]-4,4”’-diamine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3657-jpgcontextbwfzdgvyfhjvb3r8mza4mdz8aw1hz2uvanblz3xoyjmvadizlzg5mzi3mtg0nzczndivvdm2ntcuanbnfdjmnzuwyze1ndq3ztiwyzk0owjlzte3ndq1mgfhzjlizdq2mdnjnzhhodm3ntgzoti3n2m2mdvmywzjntmymmu.jpeg)
