CAS RN: 1454567-04-4
9-(naphthalen-2-yl)-9′-phenyl-9H,9’H-3,3′-bicarbazole
- Product code: SSC-056763
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1454567-04-4 / 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole
Basic Information
CAS
1454567-04-4
Multi CAS
No
Molecular Formula
C40H26N2
Molecular Weight
534.600000
Exact Mass
534.209599
SMILES
C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC8=CC=CC=C8C=C7)C9=CC=CC=C92
InChI
InChI=1S/C40H26N2/c1-2-12-31(13-3-1)41-37-16-8-6-14-33(37)35-25-29(19-22-39(35)41)30-20-23-40-36(26-30)34-15-7-9-17-38(34)42(40)32-21-18-27-10-4-5-11-28(27)24-32/h1-26H
InChIKey
NRELWBPPAKVJAI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
42
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
178.06
TPSA
9.86
LogP / Solubility
WLOGP
10.7
MLOGP
9.46
XLogP3
10.9
Consensus LogP
10.35
Log S (ESOL)
-10.44
Class (ESOL)
Insoluble
Log S (Ali)
-11.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.38
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)
1.62
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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