![CAS 209980-47-2 N,N’-Bis[4-(1-naphthalenylphenylamino)phenyl]-N,N’-diphenyl-[1,1′-biphenyl]-4,4′-diamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/209980-47-2.gif)
CAS RN: 209980-47-2
N,N’-Bis[4-(1-naphthalenylphenylamino)phenyl]-N,N’-diphenyl-[1,1′-biphenyl]-4,4′-diamine
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.20251018 | 200mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS209980-47-2
- Purity/Analytical Methods: >99.0%
209980-47-2 / 4-N-naphthalen-1-yl-1-N-[4-[4-(N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
Basic Information
CAS
209980-47-2
Multi CAS
No
Molecular Formula
C68H50N4
Molecular Weight
923.100000
Exact Mass
922.403548
SMILES
C1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC8=CC=CC=C87)C9=CC=C(C=C9)N(C1=CC=CC=C1)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C68H50N4/c1-5-23-55(24-6-1)69(61-43-47-63(48-44-61)71(57-27-9-3-10-28-57)67-33-17-21-53-19-13-15-31-65(53)67)59-39-35-51(36-40-59)52-37-41-60(42-38-52)70(56-25-7-2-8-26-56)62-45-49-64(50-46-62)72(58-29-11-4-12-30-58)68-34-18-22-54-20-14-16-32-66(54)68/h1-50H
InChIKey
ZPFOEBMLJJUDQR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
72
Aromatic heavy atom count
68
Rotatable bonds
13
H-bond acceptors
4
Molar refractivity
305.62
TPSA
12.96
LogP / Solubility
WLOGP
19.54
MLOGP
17.28
XLogP3
19
Consensus LogP
18.61
Log S (ESOL)
-17.71
Class (ESOL)
Insoluble
Log S (Ali)
-21.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-23.44
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)
5.52
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8.5
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