![CAS 955959-89-4 N-(4-(9-phenyl-9H-fluoren-9-yl)phenyl)-[1,1′-biphenyl]-4-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/955959-89-4.gif)
CAS RN: 955959-89-4
N-(4-(9-phenyl-9H-fluoren-9-yl)phenyl)-[1,1′-biphenyl]-4-amine
- Product code: SSC-211044
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 | Beijing | Inquiry |
955959-89-4 / N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
Basic Information
CAS
955959-89-4
Multi CAS
No
Molecular Formula
C30H21NO
Molecular Weight
411.500000
Exact Mass
411.162314
InChI
InChI=1S/C30H21NO/c1-2-7-21(8-3-1)22-13-17-24(18-14-22)31-25-19-15-23(16-20-25)26-10-6-11-28-27-9-4-5-12-29(27)32-30(26)28/h1-20,31H
InChIKey
QLVJMUILAGEUOP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
31
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
134.32
TPSA
25.17
LogP / Solubility
WLOGP
8.66
MLOGP
7.65
XLogP3
8.5
Consensus LogP
8.27
Log S (ESOL)
-8.3
Class (ESOL)
Insoluble
Log S (Ali)
-9.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.01
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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