![CAS 303111-06-0 4,4′,4”-Tris[9,9-dimethylfluoren-2-yl(phenyl)amino]triphenylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3438-jpgcontextbwfzdgvyfhjvb3r8ndi1nth8aw1hz2uvanblz3xozwmvadkzlzg5mzi3mdkxnzeymzavvdm0mzguanbnfgjmnjfjzwnlyze2ymvizwy0mjczyju1ytkzmzyyztiymzg3nwezzjmxntuwnmy3yju4mgexmjzlyjzjmjc2zdy.jpeg)
CAS RN: 303111-06-0
4,4′,4”-Tris[9,9-dimethylfluoren-2-yl(phenyl)amino]triphenylamine
- Product code: SSC-134385
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 | Shenzhen | Inquiry |
303111-06-0 / 4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
Basic Information
CAS
303111-06-0
Multi CAS
No
Molecular Formula
C81H66N4
Molecular Weight
1095.400000
Exact Mass
1094.528748
InChI
InChI=1S/C81H66N4/c1-79(2)73-31-19-16-28-67(73)70-49-46-64(52-76(70)79)83(55-22-10-7-11-23-55)61-40-34-58(35-41-61)82(59-36-42-62(43-37-59)84(56-24-12-8-13-25-56)65-47-50-71-68-29-17-20-32-74(68)80(3,4)77(71)53-65)60-38-44-63(45-39-60)85(57-26-14-9-15-27-57)66-48-51-72-69-30-18-21-33-75(69)81(5,6)78(72)54-66/h7-54H,1-6H3
InChIKey
SUBDISDSCLKKRX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
85
Aromatic heavy atom count
72
Fraction Csp3
0.11
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
357.87
TPSA
12.96
LogP / Solubility
WLOGP
22.48
MLOGP
19.89
XLogP3
22.4
Consensus LogP
21.59
Log S (ESOL)
-20.63
Class (ESOL)
Insoluble
Log S (Ali)
-24.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-26.88
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)
6.56
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10
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