![CAS 1222634-03-8 N-([1,1′:4′1″-terphenyl]-4-yl) -[1,1:2′1″-terphenyl] -4-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1222634-03-8.gif)
CAS RN: 1222634-03-8
N-([1,1′:4′1″-terphenyl]-4-yl) -[1,1:2′1″-terphenyl] -4-amine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250203 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1222634-03-8
- Purity/Analytical Methods: >99.0%
1222634-03-8 / 4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
Basic Information
CAS
1222634-03-8
Multi CAS
No
Molecular Formula
C36H27N
Molecular Weight
473.600000
Exact Mass
473.214350
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)NC4=CC=C(C=C4)C5=CC=CC=C5C6=CC=CC=C6
InChI
InChI=1S/C36H27N/c1-3-9-27(10-4-1)28-15-17-29(18-16-28)30-19-23-33(24-20-30)37-34-25-21-32(22-26-34)36-14-8-7-13-35(36)31-11-5-2-6-12-31/h1-26,37H
InChIKey
PROMDXRVIZLPSG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
36
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
157.91
TPSA
12.03
LogP / Solubility
WLOGP
10.1
MLOGP
8.92
XLogP3
10
Consensus LogP
9.67
Log S (ESOL)
-9.46
Class (ESOL)
Insoluble
Log S (Ali)
-10.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.84
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)
1.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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