CAS RN: 1247176-56-2
Bis(4-(phenanthren-9-yl)phenyl)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.20250313 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-028857
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 | Hong Kong | Inquiry |
1247176-56-2 / 4-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)aniline
Basic Information
CAS
1247176-56-2
Multi CAS
No
Molecular Formula
C40H27N
Molecular Weight
521.600000
Exact Mass
521.214350
SMILES
C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C4=CC=C(C=C4)NC5=CC=C(C=C5)C6=CC7=CC=CC=C7C8=CC=CC=C86
InChI
InChI=1S/C40H27N/c1-3-11-33-29(9-1)25-39(37-15-7-5-13-35(33)37)27-17-21-31(22-18-27)41-32-23-19-28(20-24-32)40-26-30-10-2-4-12-34(30)36-14-6-8-16-38(36)40/h1-26,41H
InChIKey
FZQNMYQSIKOIED-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
40
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
177.06
TPSA
12.03
LogP / Solubility
WLOGP
11.38
MLOGP
10.05
XLogP3
11.7
Consensus LogP
11.04
Log S (ESOL)
-10.7
Class (ESOL)
Insoluble
Log S (Ali)
-12.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.97
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)
2.18
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
