![CAS 1918982-76-9 N-(4-(phenanthren-9-yl)phenyl)-[1,1′-biphenyl]-4-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB65544835.gif)
CAS RN: 1918982-76-9
N-(4-(phenanthren-9-yl)phenyl)-[1,1′-biphenyl]-4-amine
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.20250426 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1918982-76-9
- Purity/Analytical Methods: >99.0%
1918982-76-9 / N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
Basic Information
CAS
1918982-76-9
Multi CAS
No
Molecular Formula
C32H23N
Molecular Weight
421.500000
Exact Mass
421.183050
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=CC=C(C=C3)C4=CC5=CC=CC=C5C6=CC=CC=C64
InChI
InChI=1S/C32H23N/c1-2-8-23(9-3-1)24-14-18-27(19-15-24)33-28-20-16-25(17-21-28)32-22-26-10-4-5-11-29(26)30-12-6-7-13-31(30)32/h1-22,33H
InChIKey
ALAVXDZDUOMUJG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
32
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
142.05
TPSA
12.03
LogP / Solubility
WLOGP
9.07
MLOGP
8.01
XLogP3
9.2
Consensus LogP
8.76
Log S (ESOL)
-8.62
Class (ESOL)
Insoluble
Log S (Ali)
-9.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.41
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)
1.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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