CAS RN: 1548581-40-3
N-phenyl-N’-(4-m-terphenyl)-3,3′-biscarbazole
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.20260311 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1548581-40-3
- Purity/Analytical Methods: >99.0%
1548581-40-3 / 3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole
Basic Information
CAS
1548581-40-3
Multi CAS
No
Molecular Formula
C48H32N2
Molecular Weight
636.800000
Exact Mass
636.256549
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=C(C=C3)N4C5=C(C=C(C=C5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC=CC=C9)C1=CC=CC=C14
InChI
InChI=1S/C48H32N2/c1-3-12-33(13-4-1)35-14-11-15-36(30-35)34-22-26-40(27-23-34)50-46-21-10-8-19-42(46)44-32-38(25-29-48(44)50)37-24-28-47-43(31-37)41-18-7-9-20-45(41)49(47)39-16-5-2-6-17-39/h1-32H
InChIKey
TZMARYFRGPHYKU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
50
Aromatic heavy atom count
50
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
211.43
TPSA
9.86
LogP / Solubility
WLOGP
12.88
MLOGP
11.39
XLogP3
13
Consensus LogP
12.42
Log S (ESOL)
-12.31
Class (ESOL)
Insoluble
Log S (Ali)
-14.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.09
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.54
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5
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