CAS RN: 167218-39-5
N,N-Bis(4′-diphenylamino-4-biphenylyl)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.20260425 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTB5676
- Purity/Analytical Methods: >95.0%(HPLC)(N)
167218-39-5 / 4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
Basic Information
CAS
167218-39-5
Multi CAS
No
Molecular Formula
C48H37N3
Molecular Weight
655.800000
Exact Mass
655.298748
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)NC5=CC=C(C=C5)C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=CC=C8
InChI
InChI=1S/C48H37N3/c1-5-13-43(14-6-1)50(44-15-7-2-8-16-44)47-33-25-39(26-34-47)37-21-29-41(30-22-37)49-42-31-23-38(24-32-42)40-27-35-48(36-28-40)51(45-17-9-3-10-18-45)46-19-11-4-12-20-46/h1-36,49H
InChIKey
MSCKYQJGPSVFHC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
51
Aromatic heavy atom count
48
Rotatable bonds
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
216.4
TPSA
18.51
LogP / Solubility
WLOGP
13.7
MLOGP
12.11
XLogP3
13.2
Consensus LogP
13
Log S (ESOL)
-12.58
Class (ESOL)
Insoluble
Log S (Ali)
-14.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.5
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)
3.01
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5
Customers Also Viewed
-
![CAS 443965-64-8 N-([1,1′-Biphenyl]-4-yl)phenanthren-9-amine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
-
N,N-Bis(4-bromophenyl)-[1,1′:4′,1”-terphenyl]-4-amine
- CAS RN: 2205054-16-4
- Product Code: SSC-106090
-
N-(4-Bromophenyl)-9,9-dimethyl-9H-fluoren-2-amine
- CAS RN: 1644059-09-5
- Product Code: SSC-071849
-
Bis[4-(hexyloxy)phenyl]amine
- CAS RN: 1158909-71-7
- Product Code: ICTB6153
- Purity/Analytical method: >98.0%(GC)(T)
-
N-([1,1′-Biphenyl]-4-yl)-[1,1′-biphenyl]-3-amine
- CAS RN: 570391-47-8
- Product Code: SSC-165129
-
![CAS 443965-64-8 N-([1,1′-Biphenyl]-4-yl)phenanthren-9-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b6083-jpgcontextbwfzdgvyfhjvb3r8mzi3mdz8aw1hz2uvanblz3xozdyvadi0lzg5mjkynji1njc0ntqvqjywodmuanbnfdmxn2vlmdgznjvhzdgwzwq3ywyymwy2odc1mgq4yzbiyjc2mjg0odywzjk1m2q5m2fhogjizwjmnti1ymiymjg.jpeg)
![CAS 2205054-16-4 N,N-Bis(4-bromophenyl)-[1,1′:4′,1”-terphenyl]-4-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b6126-jpgcontextbwfzdgvyfhjvb3r8mzi1mzz8aw1hz2uvanblz3xootkvage3lzg5mjkynjqzmzy5mjyvqjyxmjyuanbnfgjjnmfjyzaynjq2odrmmze4odllmzczyjbhogewnzywmzrjn2zmzwvimddmmtqznjkymtdkzwu3m2rimwuznzm.jpeg)
![CAS 1158909-71-7 Bis[4-(hexyloxy)phenyl]amine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b6153-jpgcontextbwfzdgvyfhjvb3r8mtqyodb8aw1hz2uvanblz3xoogmvagnllzkwotq0mzexndywmtqvqjyxntmuanbnfgi4yjqxzgewmdkzndqxnzhkngm4odyzmzkznzjjzjq3ytgzn2y4ndqxnjuzzda5mjcxmzq4mtizyzfmzgewymq.jpeg)
![CAS 570391-47-8 N-([1,1′-Biphenyl]-4-yl)-[1,1′-biphenyl]-3-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b6137-jpgcontextbwfzdgvyfhjvb3r8mtyynzz8aw1hz2uvanblz3xozjkvadhmlzkxnda4nzgwndkzmtavqjyxmzcuanbnfdi5zmu4mtljy2vmztnmzdyzmgjkotrhnjyyyjy0zgm4zjriy2i5ztvlndc5mtu0mta2mdk4zdflmdnlymnjzdg.jpeg)
