![CAS 1464822-27-2 [1,1′-Biphenyl]-4-amine, N,N-bis([1,1′-biphenyl]-4-yl)-3′-(9H-carbazol-9-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1464822-27-2.gif)
CAS RN: 1464822-27-2
[1,1′-Biphenyl]-4-amine, N,N-bis([1,1′-biphenyl]-4-yl)-3′-(9H-carbazol-9-yl)-
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock2 grade groups
- Product code: SSC-057500
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 |
1464822-27-2 / N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
Basic Information
CAS
1464822-27-2
Multi CAS
No
Molecular Formula
C48H34N2
Molecular Weight
638.800000
Exact Mass
638.272199
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC(=CC=C6)N7C8=CC=CC=C8C9=CC=CC=C97
InChI
InChI=1S/C48H34N2/c1-3-12-35(13-4-1)37-22-28-41(29-23-37)49(42-30-24-38(25-31-42)36-14-5-2-6-15-36)43-32-26-39(27-33-43)40-16-11-17-44(34-40)50-47-20-9-7-18-45(47)46-19-8-10-21-48(46)50/h1-34H
InChIKey
MCHMMOJFFHDXFQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
50
Aromatic heavy atom count
49
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
211.77
TPSA
8.17
LogP / Solubility
WLOGP
13.25
MLOGP
11.72
XLogP3
13.1
Consensus LogP
12.69
Log S (ESOL)
-12.41
Class (ESOL)
Insoluble
Log S (Ali)
-14.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.65
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)
2.79
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7
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